 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_M11_augccpVDZ.in
 Output=30_ibuprofen_conformer11_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/30_ibuprofen/Gau-1399.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1400.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                29-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep 29 11:51:27 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep 29 11:51:27 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.74D-18
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep 29 11:51:27 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep 29 11:51:30 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.00D-06  NBF=   507
 NBsUse=   507 1.00D-06 EigRej= -1.00D+00 NBFU=   507
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep 29 11:51:31 2021, MaxMem=  6442450944 cpu:               8.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep 29 11:51:32 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep 29 11:51:33 2021, MaxMem=  6442450944 cpu:               8.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.372131853834    
 DIIS: error= 2.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.372131853834     IErMin= 1 ErrMin= 2.29D-03
 ErrMax= 2.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-02 BMatP= 1.73D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.94D-02 MaxDP=1.34D+00              OVMax= 1.94D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.84D-02    CP:  1.04D+00
 E= -656.389907908513     Delta-E=       -0.017776054678 Rises=F Damp=F
 DIIS: error= 4.02D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.389907908513     IErMin= 2 ErrMin= 4.02D-04
 ErrMax= 4.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-04 BMatP= 1.73D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.02D-03
 Coeff-Com: -0.270D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.269D-01 0.103D+01
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=6.95D-03 MaxDP=8.58D-01 DE=-1.78D-02 OVMax= 6.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.93D-03    CP:  1.07D+00  1.15D+00
 E= -656.390331827847     Delta-E=       -0.000423919334 Rises=F Damp=F
 DIIS: error= 4.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.390331827847     IErMin= 2 ErrMin= 4.02D-04
 ErrMax= 4.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-04 BMatP= 4.50D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.29D-03
 Coeff-Com: -0.380D-01 0.462D+00 0.576D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.378D-01 0.460D+00 0.578D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=3.45D-04 MaxDP=2.23D-02 DE=-4.24D-04 OVMax= 3.07D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.93D-04    CP:  1.07D+00  1.15D+00  1.06D+00
 E= -656.390524810830     Delta-E=       -0.000192982983 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.390524810830     IErMin= 4 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-05 BMatP= 2.99D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com: -0.738D-02 0.177D-02 0.166D+00 0.839D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.737D-02 0.177D-02 0.166D+00 0.839D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=3.81D-04 MaxDP=4.50D-02 DE=-1.93D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.07D-04    CP:  1.07D+00  1.15D+00  1.11D+00  1.53D+00
 E= -656.390539059965     Delta-E=       -0.000014249135 Rises=F Damp=F
 DIIS: error= 5.80D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.390539059965     IErMin= 5 ErrMin= 5.80D-05
 ErrMax= 5.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-06 BMatP= 1.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-03-0.404D-01 0.167D-01 0.387D+00 0.636D+00
 Coeff:      0.152D-03-0.404D-01 0.167D-01 0.387D+00 0.636D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=1.38D-02 DE=-1.42D-05 OVMax= 4.94D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.77D-05    CP:  1.07D+00  1.15D+00  1.11D+00  1.65D+00  1.15D+00
 E= -656.390541960543     Delta-E=       -0.000002900578 Rises=F Damp=F
 DIIS: error= 2.09D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.390541960543     IErMin= 6 ErrMin= 2.09D-05
 ErrMax= 2.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-07 BMatP= 3.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-02-0.171D-01-0.186D-01 0.465D-01 0.271D+00 0.717D+00
 Coeff:      0.109D-02-0.171D-01-0.186D-01 0.465D-01 0.271D+00 0.717D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=4.42D-05 MaxDP=6.07D-03 DE=-2.90D-06 OVMax= 1.50D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-05    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.21D+00
                    CP:  1.24D+00
 E= -656.390542285133     Delta-E=       -0.000000324590 Rises=F Damp=F
 DIIS: error= 3.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.390542285133     IErMin= 7 ErrMin= 3.26D-06
 ErrMax= 3.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-08 BMatP= 3.75D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-03-0.907D-03-0.666D-02-0.217D-01 0.207D-01 0.193D+00
 Coeff-Com:  0.815D+00
 Coeff:      0.273D-03-0.907D-03-0.666D-02-0.217D-01 0.207D-01 0.193D+00
 Coeff:      0.815D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.77D-05 MaxDP=2.18D-03 DE=-3.25D-07 OVMax= 3.94D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.40D-06    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.22D+00
                    CP:  1.30D+00  1.21D+00
 E= -656.390542309220     Delta-E=       -0.000000024087 Rises=F Damp=F
 DIIS: error= 1.06D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.390542309220     IErMin= 8 ErrMin= 1.06D-06
 ErrMax= 1.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-09 BMatP= 1.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.510D-04 0.152D-02 0.360D-03-0.973D-02-0.223D-01-0.395D-01
 Coeff-Com:  0.165D+00 0.905D+00
 Coeff:     -0.510D-04 0.152D-02 0.360D-03-0.973D-02-0.223D-01-0.395D-01
 Coeff:      0.165D+00 0.905D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=5.71D-06 MaxDP=7.40D-04 DE=-2.41D-08 OVMax= 1.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.63D-06    CP:  1.07D+00  1.15D+00  1.11D+00  1.69D+00  1.23D+00
                    CP:  1.33D+00  1.21D+00  1.15D+00
 E= -656.390542311874     Delta-E=       -0.000000002654 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.390542311874     IErMin= 9 ErrMin= 2.79D-07
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.69D-10 BMatP= 1.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.318D-04 0.509D-03 0.610D-03-0.137D-02-0.722D-02-0.266D-01
 Coeff-Com: -0.962D-02 0.256D+00 0.788D+00
 Coeff:     -0.318D-04 0.509D-03 0.610D-03-0.137D-02-0.722D-02-0.266D-01
 Coeff:     -0.962D-02 0.256D+00 0.788D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=1.28D-04 DE=-2.65D-09 OVMax= 5.18D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.39D-07    CP:  1.07D+00  1.15D+00  1.11D+00  1.69D+00  1.23D+00
                    CP:  1.33D+00  1.23D+00  1.16D+00  1.08D+00
 E= -656.390542312137     Delta-E=       -0.000000000262 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.390542312137     IErMin=10 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-11 BMatP= 1.69D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-05-0.333D-04 0.171D-03 0.787D-03 0.850D-03-0.414D-02
 Coeff-Com: -0.239D-01-0.355D-01 0.261D+00 0.801D+00
 Coeff:     -0.420D-05-0.333D-04 0.171D-03 0.787D-03 0.850D-03-0.414D-02
 Coeff:     -0.239D-01-0.355D-01 0.261D+00 0.801D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=7.55D-07 MaxDP=9.08D-05 DE=-2.62D-10 OVMax= 2.83D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.23D+00
                    CP:  1.33D+00  1.22D+00  1.17D+00  1.16D+00  1.30D+00
 E= -656.390542312145     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 4.27D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.390542312145     IErMin=11 ErrMin= 4.27D-08
 ErrMax= 4.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-12 BMatP= 2.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.226D-05-0.749D-04-0.888D-05 0.429D-03 0.127D-02 0.162D-02
 Coeff-Com: -0.684D-02-0.453D-01-0.116D-01 0.286D+00 0.774D+00
 Coeff:      0.226D-05-0.749D-04-0.888D-05 0.429D-03 0.127D-02 0.162D-02
 Coeff:     -0.684D-02-0.453D-01-0.116D-01 0.286D+00 0.774D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.84D-07 MaxDP=2.09D-05 DE=-8.19D-12 OVMax= 1.12D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.06D-08    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.23D+00
                    CP:  1.33D+00  1.22D+00  1.16D+00  1.18D+00  1.43D+00
                    CP:  1.16D+00
 E= -656.390542311879     Delta-E=        0.000000000266 Rises=F Damp=F
 DIIS: error= 1.53D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.390542312145     IErMin=12 ErrMin= 1.53D-08
 ErrMax= 1.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-13 BMatP= 4.38D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-05-0.830D-05-0.266D-04-0.490D-04 0.155D-03 0.858D-03
 Coeff-Com:  0.265D-02-0.330D-02-0.438D-01-0.718D-01 0.150D+00 0.965D+00
 Coeff:      0.108D-05-0.830D-05-0.266D-04-0.490D-04 0.155D-03 0.858D-03
 Coeff:      0.265D-02-0.330D-02-0.438D-01-0.718D-01 0.150D+00 0.965D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=7.01D-08 MaxDP=8.17D-06 DE= 2.66D-10 OVMax= 6.41D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.87D-08    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.23D+00
                    CP:  1.33D+00  1.22D+00  1.16D+00  1.19D+00  1.49D+00
                    CP:  1.29D+00  1.27D+00
 E= -656.390542312154     Delta-E=       -0.000000000274 Rises=F Damp=F
 DIIS: error= 7.76D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -656.390542312154     IErMin=13 ErrMin= 7.76D-09
 ErrMax= 7.76D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-14 BMatP= 4.73D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-06 0.957D-05-0.212D-05-0.702D-04-0.143D-03-0.127D-03
 Coeff-Com:  0.143D-02 0.597D-02-0.540D-02-0.529D-01-0.830D-01 0.156D+00
 Coeff-Com:  0.978D+00
 Coeff:     -0.220D-06 0.957D-05-0.212D-05-0.702D-04-0.143D-03-0.127D-03
 Coeff:      0.143D-02 0.597D-02-0.540D-02-0.529D-01-0.830D-01 0.156D+00
 Coeff:      0.978D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=2.51D-08 MaxDP=1.96D-06 DE=-2.74D-10 OVMax= 3.40D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.16D-08    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.23D+00
                    CP:  1.33D+00  1.22D+00  1.16D+00  1.19D+00  1.51D+00
                    CP:  1.33D+00  1.38D+00  1.38D+00
 E= -656.390542312199     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 2.66D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -656.390542312199     IErMin=14 ErrMin= 2.66D-09
 ErrMax= 2.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-15 BMatP= 6.00D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.188D-06 0.308D-05 0.314D-05-0.854D-05-0.523D-04-0.142D-03
 Coeff-Com: -0.680D-04 0.170D-02 0.473D-02-0.712D-03-0.351D-01-0.101D+00
 Coeff-Com:  0.185D+00 0.946D+00
 Coeff:     -0.188D-06 0.308D-05 0.314D-05-0.854D-05-0.523D-04-0.142D-03
 Coeff:     -0.680D-04 0.170D-02 0.473D-02-0.712D-03-0.351D-01-0.101D+00
 Coeff:      0.185D+00 0.946D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=1.74D-06 DE=-4.50D-11 OVMax= 1.55D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.63D-09    CP:  1.07D+00  1.15D+00  1.11D+00  1.68D+00  1.23D+00
                    CP:  1.33D+00  1.22D+00  1.16D+00  1.19D+00  1.51D+00
                    CP:  1.34D+00  1.41D+00  1.49D+00  1.36D+00
 E= -656.390542311912     Delta-E=        0.000000000286 Rises=F Damp=F
 DIIS: error= 1.60D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -656.390542312199     IErMin=15 ErrMin= 1.60D-09
 ErrMax= 1.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-15 BMatP= 9.36D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-07-0.125D-05 0.996D-06 0.121D-04 0.153D-04 0.125D-05
 Coeff-Com: -0.296D-03-0.788D-03 0.189D-02 0.100D-01 0.913D-02-0.504D-01
 Coeff-Com: -0.149D+00 0.210D+00 0.969D+00
 Coeff:      0.119D-07-0.125D-05 0.996D-06 0.121D-04 0.153D-04 0.125D-05
 Coeff:     -0.296D-03-0.788D-03 0.189D-02 0.100D-01 0.913D-02-0.504D-01
 Coeff:     -0.149D+00 0.210D+00 0.969D+00
 Gap=     0.321 Goal=   None    Shift=    0.000
 RMSDP=5.40D-09 MaxDP=4.32D-07 DE= 2.86D-10 OVMax= 7.79D-08

 SCF Done:  E(RM11) =  -656.390542312     A.U. after   15 cycles
            NFock= 15  Conv=0.54D-08     -V/T= 2.0066
 KE= 6.520931739400D+02 PE=-3.494307249677D+03 EE= 1.201851421831D+03
 Leave Link  502 at Wed Sep 29 12:15:01 2021, MaxMem=  6442450944 cpu:           11243.9 elap:            1407.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   507
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    507 NOA=    56 NOB=    56 NVA=   451 NVB=   451

 **** Warning!!: The largest alpha MO coefficient is  0.14559148D+03

 Leave Link  801 at Wed Sep 29 12:15:01 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10227 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.21D-13 8.33D-09 XBig12= 1.00D+00 3.54D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.21D-13 8.33D-09 XBig12= 2.02D-01 5.92D-02.
     11 vectors produced by pass  2 Test12= 4.21D-13 8.33D-09 XBig12= 3.90D-02 7.40D-02.
     11 vectors produced by pass  3 Test12= 4.21D-13 8.33D-09 XBig12= 5.62D-03 2.05D-02.
     11 vectors produced by pass  4 Test12= 4.21D-13 8.33D-09 XBig12= 6.31D-04 5.88D-03.
     11 vectors produced by pass  5 Test12= 4.21D-13 8.33D-09 XBig12= 6.07D-05 8.78D-04.
     11 vectors produced by pass  6 Test12= 4.21D-13 8.33D-09 XBig12= 3.98D-06 1.87D-04.
     11 vectors produced by pass  7 Test12= 4.21D-13 8.33D-09 XBig12= 1.95D-07 5.31D-05.
     11 vectors produced by pass  8 Test12= 4.21D-13 8.33D-09 XBig12= 8.17D-09 1.16D-05.
     11 vectors produced by pass  9 Test12= 4.21D-13 8.33D-09 XBig12= 3.16D-10 1.85D-06.
     11 vectors produced by pass 10 Test12= 4.21D-13 8.33D-09 XBig12= 1.12D-11 3.59D-07.
      8 vectors produced by pass 11 Test12= 4.21D-13 8.33D-09 XBig12= 4.35D-13 6.12D-08.
      2 vectors produced by pass 12 Test12= 4.21D-13 8.33D-09 XBig12= 4.86D-14 1.57D-08.
      1 vectors produced by pass 13 Test12= 4.21D-13 8.33D-09 XBig12= 3.31D-14 1.52D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   132 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.211166D+03
      2 -0.819860D+00  0.138856D+03
      3 -0.734568D+00 -0.655259D+01  0.157587D+03
 Isotropic polarizability for W=    0.088559      169.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.171699D+03  0.563040D+02 -0.283049D+01
      2  -0.922578D+02 -0.339015D+02  0.173618D+02
      3  -0.794417D+02 -0.224025D+02 -0.145313D+02
      4  -0.267107D+02  0.769257D+02 -0.266665D+02
      5  -0.570562D+01 -0.292600D+02  0.103581D+03
      6  -0.113725D+02  0.138191D+02 -0.285003D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.337291D+01 -0.805541D+01  0.223977D+02
      2   0.111713D+02 -0.932022D+01  0.481288D+02
      3  -0.119073D+03 -0.393945D+02  0.125537D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.259357D+01 -0.354269D+01  0.609777D+01
      2   0.287513D+01 -0.152940D+02  0.183023D+03
      3  -0.830147D+02 -0.169184D+03  0.178876D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.968328D+00 -0.862406D+00  0.145541D+02
      2  -0.862406D+00  0.766874D+00 -0.453640D+00
      3   0.145541D+02 -0.453640D+00 -0.187467D+01
 OR G Eigenvalues:   -15.0803     0.7045    14.2363  Iso=     0.0465
 Eigenvectors:
   (1)  -0.672148  -0.015388   0.740257
   (2)   0.041430   0.997436   0.058352
   (3)   0.739257  -0.069890   0.669787
 w=    0.088559 a.u., Optical Rotation Beta=      0.0465 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       11.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 9.38D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.63D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.02D-14 2.78D-09 XBig12= 1.00D+00 3.52D-01.
     30 vectors produced by pass  1 Test12= 7.02D-14 2.78D-09 XBig12= 2.40D-02 2.78D-02.
     30 vectors produced by pass  2 Test12= 7.02D-14 2.78D-09 XBig12= 2.88D-03 7.88D-03.
     30 vectors produced by pass  3 Test12= 7.02D-14 2.78D-09 XBig12= 6.60D-05 1.46D-03.
     30 vectors produced by pass  4 Test12= 7.02D-14 2.78D-09 XBig12= 1.71D-06 1.72D-04.
     30 vectors produced by pass  5 Test12= 7.02D-14 2.78D-09 XBig12= 4.29D-08 2.18D-05.
     30 vectors produced by pass  6 Test12= 7.02D-14 2.78D-09 XBig12= 7.60D-10 3.07D-06.
     30 vectors produced by pass  7 Test12= 7.02D-14 2.78D-09 XBig12= 9.09D-12 2.60D-07.
     30 vectors produced by pass  8 Test12= 7.02D-14 2.78D-09 XBig12= 1.07D-13 2.37D-08.
     14 vectors produced by pass  9 Test12= 7.02D-14 2.78D-09 XBig12= 4.30D-15 5.11D-09.
      6 vectors produced by pass 10 Test12= 7.02D-14 2.78D-09 XBig12= 2.91D-15 4.76D-09.
      2 vectors produced by pass 11 Test12= 7.02D-14 2.78D-09 XBig12= 2.50D-15 4.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   292 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.89D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.89D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.48D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211166D+03 -0.819860D+00 -0.734568D+00
      2  -0.819860D+00  0.138856D+03 -0.655259D+01
      3  -0.734568D+00 -0.655259D+01  0.157587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.337291D+01 -0.805541D+01  0.223977D+02
      2   0.111713D+02 -0.932022D+01  0.481288D+02
      3  -0.119073D+03 -0.393945D+02  0.125537D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.171699D+03  0.563040D+02 -0.283049D+01
      2  -0.922578D+02 -0.339015D+02  0.173618D+02
      3  -0.794417D+02 -0.224025D+02 -0.145313D+02
      4  -0.267107D+02  0.769257D+02 -0.266665D+02
      5  -0.570562D+01 -0.292600D+02  0.103581D+03
      6  -0.113725D+02  0.138191D+02 -0.285003D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.848820D+01  0.551080D+00  0.869355D+00 -0.171610D+01  0.150199D+01
      2   0.551080D+00  0.205899D+01 -0.666559D+00  0.150199D+01 -0.342598D+01
      3   0.869355D+00 -0.666559D+00  0.283083D+01  0.175293D+01  0.210700D+01
                 6             7             8             9            10 
      1   0.175293D+01  0.120050D+02  0.152901D+01 -0.860025D+00  0.286952D+02
      2   0.210700D+01  0.152901D+01  0.102928D+00  0.143119D+01  0.167065D+01
      3   0.967255D+00 -0.860025D+00  0.143119D+01  0.840032D+00 -0.125627D+01
                11            12            13            14            15 
      1   0.167065D+01 -0.125627D+01 -0.322589D+00  0.419152D+01  0.113459D+01
      2   0.208362D+01 -0.635033D+00  0.419152D+01 -0.110556D+01 -0.764882D-01
      3  -0.635033D+00  0.294998D+01  0.113459D+01 -0.764882D-01 -0.796052D+00
                16            17            18            19            20 
      1  -0.282213D+01  0.890085D+00  0.119654D+01  0.113896D+02 -0.523298D+00
      2   0.890085D+00  0.298139D+00 -0.108284D+01 -0.523298D+00 -0.257471D+01
      3   0.119654D+01 -0.108284D+01 -0.517835D+00 -0.115278D+01  0.136986D+01
                21            22            23            24            25 
      1  -0.115278D+01 -0.402823D+01 -0.152923D+01 -0.210051D+00  0.100794D+02
      2   0.136986D+01 -0.152923D+01 -0.272477D+01  0.235451D+01 -0.152659D+01
      3  -0.163801D+01 -0.210051D+00  0.235451D+01  0.190387D+01  0.252069D+00
                26            27            28            29            30 
      1  -0.152659D+01  0.252069D+00 -0.257263D+02  0.172484D+00  0.797724D+00
      2   0.138397D+01  0.137897D+01  0.172484D+00 -0.181810D+01  0.254060D+00
      3   0.137897D+01  0.162273D+01  0.797724D+00  0.254060D+00 -0.280316D+01
                31            32            33            34            35 
      1   0.253076D+01 -0.452609D+01 -0.145220D+01  0.285262D+01 -0.141024D+01
      2  -0.452609D+01  0.693911D+00  0.471459D+00 -0.141024D+01  0.457341D-01
      3  -0.145220D+01  0.471459D+00  0.668505D-01 -0.625566D+00 -0.969756D+00
                36            37            38            39            40 
      1  -0.625566D+00  0.807696D+01 -0.693108D+00 -0.615441D+00  0.334442D+01
      2  -0.969756D+00 -0.693108D+00 -0.110687D+01 -0.626834D+00 -0.158954D+01
      3   0.414769D+00 -0.615441D+00 -0.626834D+00 -0.298247D+01 -0.110096D+01
                41            42            43            44            45 
      1  -0.158954D+01 -0.110096D+01 -0.120482D+02  0.111381D+00  0.626996D+00
      2   0.232847D+01 -0.217697D+01  0.111381D+00 -0.110178D+01 -0.867528D+00
      3  -0.217697D+01 -0.119564D+01  0.626996D+00 -0.867528D+00 -0.132185D+01
                46            47            48            49            50 
      1  -0.103166D+02  0.570921D+00  0.815849D+00  0.520762D+01  0.207103D+01
      2   0.570921D+00  0.119621D+01  0.107979D+00  0.207103D+01  0.177021D+01
      3   0.815849D+00  0.107979D+00  0.155185D+01 -0.366744D+00 -0.280830D+01
                51            52            53            54            55 
      1  -0.366744D+00 -0.929396D+01  0.352655D+00 -0.452606D+00 -0.132105D+02
      2  -0.280830D+01  0.352655D+00 -0.156600D+01 -0.993187D+00 -0.289860D+01
      3  -0.212180D+01 -0.452606D+00 -0.993187D+00 -0.158414D+01 -0.524293D+00
                56            57            58            59            60 
      1  -0.289860D+01 -0.524293D+00 -0.672482D+01 -0.729967D+01 -0.367468D+00
      2  -0.416429D+01 -0.751311D-01 -0.729967D+01  0.661735D-01 -0.207014D+01
      3  -0.751311D-01 -0.168052D+01 -0.367468D+00 -0.207014D+01  0.191704D+01
                61            62            63            64            65 
      1  -0.161425D+01 -0.486789D+00 -0.335972D+01 -0.517850D+01  0.468818D+01
      2  -0.486789D+00 -0.265631D+01  0.316174D+01  0.468818D+01  0.338318D+01
      3  -0.335972D+01  0.316174D+01  0.465331D+01  0.245979D+01 -0.250370D+00
                66            67            68            69            70 
      1   0.245979D+01  0.128336D+02  0.535180D+01 -0.615315D-01  0.508994D+01
      2  -0.250370D+00  0.535180D+01  0.192389D+01  0.333772D+01  0.599285D+00
      3   0.975927D+00 -0.615315D-01  0.333772D+01 -0.294626D+01  0.241107D+00
                71            72            73            74            75 
      1   0.599285D+00  0.241107D+00  0.318198D+01 -0.356240D+01 -0.258569D+01
      2   0.338606D+01 -0.270934D+01 -0.356240D+01 -0.356696D+01 -0.186122D+00
      3  -0.270934D+01 -0.436044D+01 -0.258569D+01 -0.186122D+00 -0.164875D+01
                76            77            78            79            80 
      1  -0.509477D+01 -0.467996D+01 -0.360093D-01 -0.296155D+01  0.239300D+00
      2  -0.467996D+01 -0.140630D+01 -0.440751D+01  0.239300D+00 -0.318963D+01
      3  -0.360093D-01 -0.440751D+01  0.301104D+01 -0.484634D+00  0.267221D+01
                81            82            83            84            85 
      1  -0.484634D+00  0.367227D+01 -0.403315D+01 -0.132836D+01 -0.549127D+01
      2   0.267221D+01 -0.403315D+01 -0.400851D+01  0.357477D+00 -0.394422D+01
      3   0.243858D+01 -0.132836D+01  0.357477D+00 -0.104323D+01 -0.192489D+00
                86            87            88            89            90 
      1  -0.394422D+01 -0.192489D+00 -0.192443D+01 -0.835151D+00 -0.819765D+00
      2  -0.277096D+01 -0.245383D+01 -0.835151D+00 -0.327224D+01  0.212222D+01
      3  -0.245383D+01  0.319992D+01 -0.819765D+00  0.212222D+01  0.617455D+01
                91            92            93            94            95 
      1   0.477065D+01  0.193793D+01  0.184505D+01 -0.202538D+01  0.537868D+01
      2   0.193793D+01  0.187401D+01  0.412823D+00  0.537868D+01 -0.369902D+01
      3   0.184505D+01  0.412823D+00  0.164266D+01  0.135532D+01  0.480182D+00
                96            97            98            99           100 
      1   0.135532D+01  0.321975D+01  0.185425D+01  0.251704D+01 -0.318063D-01
      2   0.480182D+00  0.185425D+01  0.600582D+00  0.268265D+01 -0.768863D+00
      3   0.222107D+01  0.251704D+01  0.268265D+01 -0.331828D+01 -0.136506D+01
               101           102           103           104           105 
      1  -0.768863D+00 -0.136506D+01  0.540320D+00 -0.775021D+00  0.112559D+01
      2  -0.246836D+00  0.694158D+00 -0.775021D+00  0.285954D+01 -0.173145D+01
      3   0.694158D+00  0.316772D+00  0.112559D+01 -0.173145D+01 -0.245530D+01
               106           107           108           109           110 
      1  -0.325066D+01  0.124528D+01  0.100772D+01 -0.221951D+01  0.177932D+01
      2   0.124528D+01 -0.279711D+01 -0.325292D+01  0.177932D+01 -0.786993D+00
      3   0.100772D+01 -0.325292D+01 -0.214035D+01  0.313385D+01 -0.755150D+00
               111           112           113           114           115 
      1   0.313385D+01  0.236424D+01 -0.257714D+01 -0.158264D+01  0.521370D+01
      2  -0.755150D+00 -0.257714D+01  0.465981D+01  0.388642D+01 -0.246594D+01
      3  -0.123299D+01 -0.158264D+01  0.388642D+01  0.320648D+01 -0.295221D+01
               116           117           118           119           120 
      1  -0.246594D+01 -0.295221D+01  0.260739D+00 -0.292531D+00 -0.143124D+01
      2   0.434529D+01  0.406244D+01 -0.292531D+00  0.161206D+01 -0.120314D+00
      3   0.406244D+01  0.873777D+01 -0.143124D+01 -0.120314D+00 -0.983907D-01
               121           122           123           124           125 
      1  -0.137081D+01  0.254750D+01 -0.356951D+00 -0.319189D+01  0.909432D+00
      2   0.254750D+01 -0.613043D+01 -0.302377D+00  0.909432D+00 -0.173451D+01
      3  -0.356951D+00 -0.302377D+00 -0.254198D+00 -0.921141D+00  0.140026D+01
               126           127           128           129           130 
      1  -0.921141D+00  0.373223D+01 -0.913848D+00  0.253173D+01 -0.149902D+01
      2   0.140026D+01 -0.913848D+00  0.970701D+00 -0.941215D+00  0.767947D+00
      3  -0.396669D+01  0.253173D+01 -0.941215D+00  0.215571D+01 -0.126610D+01
               131           132           133           134           135 
      1   0.767947D+00 -0.126610D+01  0.256409D+01 -0.117448D+01  0.286403D+01
      2  -0.829570D+00  0.966194D+00 -0.117448D+01  0.165718D+01 -0.205167D+01
      3   0.966194D+00 -0.200039D+01  0.286403D+01 -0.205167D+01  0.495447D+01
               136           137           138           139           140 
      1  -0.211785D+01 -0.637122D+00  0.208940D+01 -0.401333D+00 -0.196174D+00
      2  -0.637122D+00 -0.374053D+00  0.625472D+00 -0.196174D+00 -0.522333D+00
      3   0.208940D+01  0.625472D+00 -0.216905D+01  0.690481D+00  0.807710D+00
               141           142           143           144           145 
      1   0.690481D+00  0.206435D+01  0.970130D+00 -0.265792D+01 -0.438196D+01
      2   0.807710D+00  0.970130D+00  0.156424D+01 -0.230484D+01  0.109072D+01
      3  -0.222790D+01 -0.265792D+01 -0.230484D+01  0.723526D+01 -0.211263D+01
               146           147           148           149           150 
      1   0.109072D+01 -0.211263D+01  0.160920D+01 -0.707361D+00  0.114881D+01
      2  -0.784205D+00  0.597157D+00 -0.707361D+00  0.660629D+00 -0.604572D+00
      3   0.597157D+00 -0.182513D+01  0.114881D+01 -0.604572D+00  0.177700D+01
               151           152           153           154           155 
      1  -0.239653D+01  0.850243D+00 -0.267888D+01  0.225904D+01  0.734553D+00
      2   0.850243D+00 -0.111266D+01  0.143373D+01  0.734553D+00  0.386890D+00
      3  -0.267888D+01  0.143373D+01 -0.474416D+01 -0.200013D+01 -0.332376D+00
               156           157           158           159           160 
      1  -0.200013D+01  0.374956D+00  0.251821D+00 -0.589561D+00 -0.225852D+01
      2  -0.332376D+00  0.251821D+00  0.401596D+00 -0.574204D+00 -0.832362D+00
      3   0.200129D+01 -0.589561D+00 -0.574204D+00  0.190663D+01  0.275289D+01
               161           162           163           164           165 
      1  -0.832362D+00  0.275289D+01  0.164289D+01 -0.534298D+00 -0.176282D+01
      2  -0.110100D+01  0.144366D+01 -0.534298D+00  0.971241D+00  0.549514D+00
      3   0.144366D+01 -0.719166D+01 -0.176282D+01  0.549514D+00  0.145427D+01
               166           167           168           169           170 
      1   0.856095D+00  0.159178D+01  0.567461D+00 -0.441233D+01  0.740444D+00
      2   0.159178D+01 -0.130797D+01 -0.133124D+01  0.740444D+00 -0.188683D+01
      3   0.567461D+00 -0.133124D+01 -0.143768D+01  0.298793D+01 -0.263050D+01
               171           172           173           174           175 
      1   0.298793D+01  0.322418D+01 -0.192996D+01  0.115838D+01 -0.254271D+01
      2  -0.263050D+01 -0.192996D+01  0.241244D+01 -0.447824D+00  0.327385D+01
      3  -0.660534D+01  0.115838D+01 -0.447824D+00  0.690340D+00 -0.636095D+00
               176           177           178           179           180 
      1   0.327385D+01 -0.636095D+00  0.424834D+01 -0.938476D+00  0.133496D+01
      2  -0.555287D+01  0.154956D+01 -0.938476D+00  0.277790D+01 -0.174037D+01
      3   0.154956D+01 -0.116737D+01  0.133496D+01 -0.174037D+01  0.105307D+01
               181           182           183           184           185 
      1   0.136740D+02 -0.155421D+01 -0.160683D+01 -0.318046D+01  0.120084D+01
      2  -0.155421D+01  0.112158D+01  0.201117D+00  0.120084D+01 -0.104780D+01
      3  -0.160683D+01  0.201117D+00  0.133621D+01  0.172045D+00 -0.674897D+00
               186           187           188           189           190 
      1   0.172045D+00 -0.215132D+01  0.494442D-01  0.195814D+01 -0.682131D+01
      2  -0.674897D+00  0.494442D-01 -0.735624D+00  0.107789D+00  0.439147D+00
      3  -0.728947D-01  0.195814D+01  0.107789D+00 -0.272278D+00  0.728714D+00
               191           192           193           194           195 
      1   0.439147D+00  0.728714D+00  0.413967D+00 -0.708743D+00 -0.676854D+00
      2  -0.121956D+01 -0.752305D+00 -0.708743D+00  0.927363D+00  0.849400D+00
      3  -0.752305D+00 -0.189595D+01 -0.676854D+00  0.849400D+00  0.348957D+00
               196           197           198           199           200 
      1   0.719520D+00 -0.416975D+00 -0.921073D+00  0.420606D+01  0.319727D+01
      2  -0.416975D+00  0.629465D+00  0.827440D-01  0.319727D+01  0.301333D+01
      3  -0.921073D+00  0.827440D-01  0.102997D+01  0.219048D+01  0.130351D+01
               201           202           203           204           205 
      1   0.219048D+01  0.390832D+01  0.394932D+01  0.187366D+01  0.129072D+01
      2   0.130351D+01  0.394932D+01  0.541701D+01  0.269931D+01  0.923146D+00
      3   0.188544D+01  0.187366D+01  0.269931D+01  0.205267D+01  0.157545D+01
               206           207           208           209           210 
      1   0.923146D+00  0.157545D+01  0.128356D+01 -0.708458D+00  0.167674D+01
      2   0.142652D+01  0.125004D+01 -0.708458D+00  0.127656D+01 -0.657138D+00
      3   0.125004D+01  0.138086D+01  0.167674D+01 -0.657138D+00  0.162777D+01
               211           212           213           214           215 
      1  -0.139860D+01  0.132664D+01 -0.125440D+01  0.163918D+01 -0.681658D+00
      2   0.132664D+01 -0.333905D+01  0.264313D+01 -0.681658D+00  0.210720D+01
      3  -0.125440D+01  0.264313D+01 -0.357987D+01  0.165828D+01 -0.222035D+01
               216           217           218           219           220 
      1   0.165828D+01  0.311792D+00  0.377717D+00 -0.122764D+01 -0.145959D-01
      2  -0.222035D+01  0.377717D+00  0.613382D+00 -0.965791D-01  0.415907D+00
      3   0.423691D+01 -0.122764D+01 -0.965791D-01  0.112932D+01  0.688666D-01
               221           222           223           224           225 
      1   0.415907D+00  0.688666D-01 -0.150711D+01 -0.303855D+00  0.142132D+01
      2  -0.984267D-01 -0.746496D+00 -0.303855D+00 -0.127459D+01  0.270935D+00
      3  -0.746496D+00 -0.128745D+01  0.142132D+01  0.270935D+00 -0.911210D+01
               226           227           228           229           230 
      1   0.372252D+01  0.374142D+01 -0.567820D-01  0.358281D+01  0.444631D+01
      2   0.374142D+01  0.415973D+01 -0.262808D+00  0.444631D+01  0.768261D+01
      3  -0.567820D-01 -0.262808D+00  0.965183D+00 -0.185951D+00 -0.126842D+00
               231           232           233           234           235 
      1  -0.185951D+00  0.950128D+00  0.704484D+00  0.868445D+00 -0.706914D+01
      2  -0.126842D+00  0.704484D+00  0.150606D+01  0.747975D+00  0.663395D+00
      3   0.715511D+00  0.868445D+00  0.747975D+00 -0.242745D+00  0.611204D+00
               236           237           238           239           240 
      1   0.663395D+00  0.611204D+00  0.522238D+00 -0.129331D+01  0.232649D+00
      2  -0.209252D+01  0.370811D+00 -0.129331D+01  0.140322D+01  0.228159D+00
      3   0.370811D+00 -0.107583D+01  0.232649D+00  0.228159D+00  0.125931D+00
               241           242           243           244           245 
      1   0.810765D+00 -0.635741D-01 -0.555266D+00 -0.416461D-01 -0.897115D+00
      2  -0.635741D-01  0.697428D+00  0.118085D+00 -0.897115D+00 -0.650746D+00
      3  -0.555266D+00  0.118085D+00 -0.423101D+00  0.129422D+01  0.258454D+00
               246           247           248           249           250 
      1   0.129422D+01 -0.125237D+01 -0.115778D+01  0.392149D+00  0.256130D+01
      2   0.258454D+00 -0.115778D+01 -0.901137D+00  0.123948D+01  0.384239D+00
      3  -0.120772D+01  0.392149D+00  0.123948D+01 -0.151945D+01 -0.186721D+01
               251           252           253           254           255 
      1   0.384239D+00 -0.186721D+01  0.807373D+01 -0.122109D+01 -0.221086D+01
      2   0.147375D+01 -0.136412D+01 -0.122109D+01 -0.320953D+01 -0.105865D+01
      3  -0.136412D+01  0.528308D+01 -0.221086D+01 -0.105865D+01 -0.159433D+01
               256           257           258           259           260 
      1  -0.414830D+01 -0.276890D+01 -0.128931D+01 -0.659521D+01 -0.147264D+01
      2  -0.276890D+01  0.523822D+01 -0.438495D+00 -0.147264D+01 -0.180149D+01
      3  -0.128931D+01 -0.438495D+00 -0.244499D+01 -0.210222D+01 -0.246576D+01
               261           262           263           264           265 
      1  -0.210222D+01 -0.113193D+01  0.136085D+01 -0.546648D+00  0.228132D+01
      2  -0.246576D+01  0.136085D+01 -0.157105D+01  0.384765D+00 -0.316452D+01
      3   0.290053D+01 -0.546648D+00  0.384765D+00 -0.418024D+00  0.758027D+00
               266           267           268           269           270 
      1  -0.316452D+01  0.758027D+00 -0.647520D-01 -0.211911D+00 -0.316903D+00
      2   0.838320D+01 -0.166588D+01 -0.211911D+00  0.340490D+00  0.595774D+00
      3  -0.166588D+01  0.149559D+01 -0.316903D+00  0.595774D+00 -0.616854D+00
               271           272           273           274           275 
      1  -0.118708D+00  0.508318D+00 -0.570922D+00  0.145516D+01  0.350866D+00
      2   0.508318D+00  0.518963D+00  0.184113D+00  0.350866D+00  0.390297D+00
      3  -0.570922D+00  0.184113D+00  0.388245D+00  0.339431D+00 -0.673358D+00
               276           277           278           279           280 
      1   0.339431D+00 -0.181200D+01 -0.184917D+00 -0.683980D+00 -0.151985D+02
      2  -0.673358D+00 -0.184917D+00 -0.111932D+01  0.373193D+00 -0.146132D+01
      3   0.123135D+01 -0.683980D+00  0.373193D+00 -0.618946D+01 -0.105846D+00
               281           282           283           284           285 
      1  -0.146132D+01 -0.105846D+00  0.921826D+00 -0.119758D+01  0.137156D+00
      2  -0.123453D+01 -0.138333D+00 -0.119758D+01 -0.554844D+00  0.120925D+00
      3  -0.138333D+00 -0.101978D+01  0.137156D+00  0.120925D+00  0.384624D+00
               286           287           288           289           290 
      1   0.207313D+01  0.386468D+00 -0.112996D+01 -0.125011D+00 -0.854584D+00
      2   0.386468D+00  0.547295D+00  0.142384D+00 -0.854584D+00  0.175658D+01
      3  -0.112996D+01  0.142384D+00  0.721078D-01  0.257728D+00  0.331462D+00
               291           292           293           294           295 
      1   0.257728D+00 -0.153550D+01 -0.502570D+00 -0.123865D+00  0.922840D+00
      2   0.331462D+00 -0.502570D+00 -0.938912D+01 -0.878125D+00  0.266277D+00
      3   0.431542D+00 -0.123865D+00 -0.878125D+00 -0.102453D+01  0.126155D+00
               296           297 
      1   0.266277D+00  0.126155D+00
      2   0.458875D+00 -0.824830D+00
      3  -0.824830D+00 -0.420719D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.147684D+01  0.149918D+01  0.329580D+01  0.877850D+01  0.159002D+01
      2  -0.511218D+00 -0.223610D+01  0.364755D+01 -0.354419D+01 -0.180738D+01
      3   0.146725D+02 -0.136734D+01 -0.104574D+01  0.128495D+02  0.185185D+01
                 6             7             8             9            10 
      1  -0.219411D+01  0.225840D+01  0.375919D+01  0.181857D+00 -0.262631D+01
      2   0.705898D+00 -0.446776D+01  0.567924D+00  0.131391D+00  0.136340D-03
      3  -0.493263D+01 -0.131566D+02 -0.262832D+01 -0.718247D+00 -0.362269D+02
                11            12            13            14            15 
      1  -0.740420D+00  0.170820D+01  0.207378D+01  0.418194D+01 -0.892136D+01
      2   0.624947D+00 -0.188669D+01  0.400471D+01  0.575965D+00 -0.159767D+00
      3  -0.195285D+01  0.130174D+01  0.103937D+02 -0.229330D+01 -0.869557D+00
                16            17            18            19            20 
      1  -0.347268D+01 -0.308732D+01 -0.383592D+01 -0.184788D+01 -0.645551D+00
      2  -0.215136D+02 -0.146588D+01 -0.385596D+01 -0.158132D+01 -0.259123D+01
      3   0.214170D+00 -0.608361D+00 -0.122010D+01 -0.146120D+02 -0.452942D+00
                21            22            23            24            25 
      1  -0.185780D+01 -0.493524D+01  0.134030D+01  0.340708D+00 -0.846592D+00
      2   0.818691D+01 -0.239828D+01  0.159950D+01 -0.180229D+01 -0.726393D+01
      3   0.271292D+01  0.154084D+02 -0.816437D+00  0.254561D+01 -0.107730D+02
                26            27            28            29            30 
      1   0.395368D+01  0.216070D+01 -0.131932D-01  0.145820D+01 -0.237912D+01
      2  -0.767128D+00  0.108714D+01  0.314335D+01  0.788546D+00 -0.252042D+01
      3   0.365063D+01  0.153092D+01  0.306052D+02 -0.495170D+00 -0.193681D+01
                31            32            33            34            35 
      1  -0.141524D+00  0.417487D+01 -0.863980D+01 -0.533205D+01 -0.207392D+01
      2   0.336403D+01 -0.306072D+00  0.262172D+01 -0.234239D+02  0.436413D+01
      3   0.763080D+01  0.527003D+01  0.900066D+00 -0.635100D+01 -0.108929D+01
                36            37            38            39            40 
      1  -0.281507D+01  0.136427D+00  0.115359D+01 -0.157411D+01  0.518862D+01
      2   0.102651D+01 -0.438888D+01 -0.139155D+01  0.410239D+01 -0.355423D+01
      3   0.212327D+01 -0.112457D+02 -0.749452D+00  0.306078D+01  0.736919D+01
                41            42            43            44            45 
      1  -0.232573D+01 -0.351766D+01  0.386759D+01  0.214406D+01 -0.167552D+01
      2  -0.185074D+01  0.844943D+00 -0.217940D+01  0.151779D+00 -0.161170D+01
      3   0.128857D+01 -0.239130D+01  0.177848D+02 -0.158079D+01 -0.435214D+01
                46            47            48            49            50 
      1   0.142390D+01 -0.205089D+01  0.908939D+00 -0.705244D+01 -0.211967D+01
      2   0.367014D+01 -0.237266D+01  0.945592D+01 -0.193370D+01  0.188298D+01
      3   0.183579D+02 -0.208883D+01  0.277803D+01  0.721372D+01 -0.135785D+01
                51            52            53            54            55 
      1  -0.234382D+01 -0.132199D+01  0.252951D+01 -0.532718D-01  0.128902D+01
      2  -0.340237D+01 -0.472333D+01 -0.117810D+01  0.227622D+01 -0.656839D+01
      3   0.249498D+01  0.143257D+02  0.742109D+00  0.263388D+01  0.239804D+02
                56            57            58            59            60 
      1   0.158430D+01 -0.363266D+00  0.365239D+01 -0.319412D+01  0.262883D+01
      2  -0.590800D+00 -0.392786D+01 -0.372097D+01 -0.123111D+02  0.867418D+01
      3   0.137686D+02  0.893151D-01  0.412152D+02  0.105428D+02  0.848270D+01
                61            62            63            64            65 
      1  -0.928983D+00  0.854666D+01  0.420900D+01 -0.171852D+01  0.240551D-01
      2  -0.208798D+02  0.108451D+02  0.158745D+02  0.117105D+02 -0.272243D+00
      3   0.333631D+01  0.108292D+02 -0.618592D+01 -0.292555D+02 -0.175648D+02
                66            67            68            69            70 
      1  -0.920710D+00 -0.269675D+01 -0.237576D+01 -0.235896D+01  0.273267D+01
      2   0.765382D+01  0.391058D+01  0.156545D+02 -0.133115D+02 -0.140137D+01
      3   0.173531D+01 -0.270809D+02 -0.937395D+01 -0.137569D+02 -0.480393D+01
                71            72            73            74            75 
      1   0.572832D+01  0.216511D+01 -0.234730D+01 -0.676038D+01  0.785249D+00
      2  -0.115859D+02 -0.180261D+02 -0.185588D+02  0.556113D+01  0.237598D+01
      3  -0.146249D+02  0.949248D+01  0.184747D+02  0.981306D+01 -0.231129D+01
                76            77            78            79            80 
      1  -0.953971D+01  0.119737D+01 -0.147520D+02  0.101357D+01 -0.730567D+01
      2   0.711533D+01 -0.104234D+02  0.126615D+02  0.258449D+01  0.108828D+02
      3   0.182076D+02  0.268077D+01  0.170825D+02 -0.313689D+01  0.125873D+02
                81            82            83            84            85 
      1   0.352365D+01  0.609625D+01  0.450942D+01  0.178644D+01  0.579154D+01
      2   0.120646D+02  0.103575D+01 -0.404009D+01 -0.298817D+01 -0.702126D+01
      3  -0.109915D+02  0.256461D+02  0.456193D+01 -0.238943D+01  0.828243D+01
                86            87            88            89            90 
      1   0.941078D+01 -0.550548D+01  0.337758D+01  0.252842D+01 -0.166194D+02
      2  -0.141246D+02  0.124492D+02 -0.647225D+01  0.809040D+01  0.211330D+02
      3   0.242793D+01  0.100764D+02  0.820833D+00  0.119025D+02 -0.861664D+01
                91            92            93            94            95 
      1   0.164012D+01 -0.987335D+00  0.147410D+01  0.402468D+00 -0.153659D+01
      2  -0.102640D+02  0.227691D+00 -0.206695D+01 -0.591709D+00 -0.409535D+01
      3  -0.356601D+01  0.299443D+00 -0.915402D+00  0.322858D+02 -0.167944D+02
                96            97            98            99           100 
      1  -0.226784D+01  0.131438D+01  0.521686D+01 -0.225916D+00  0.141326D+01
      2  -0.963613D+01 -0.168192D+02 -0.967525D+01  0.115051D+02  0.516866D+01
      3  -0.113462D+01  0.155786D+01 -0.945291D+00  0.643276D+01  0.134359D+02
               101           102           103           104           105 
      1   0.152573D+01 -0.301819D+01  0.961865D+00 -0.148570D+01  0.121602D+01
      2  -0.379687D+01  0.796829D+01 -0.157327D+01  0.529037D+01  0.151869D+02
      3  -0.164445D+02  0.166998D+01 -0.799689D+01  0.151147D+01 -0.401933D+01
               106           107           108           109           110 
      1  -0.372783D+01  0.626530D-01  0.444084D+01 -0.350436D+01 -0.201462D+01
      2  -0.138841D+01  0.128790D+02  0.862154D+01 -0.842992D+01  0.232711D+01
      3   0.808659D+01 -0.922492D+01 -0.938975D+01 -0.636711D-01  0.165353D+00
               111           112           113           114           115 
      1   0.170418D+01 -0.179210D+01  0.358751D+01 -0.614234D+01  0.880278D+00
      2   0.389609D+01 -0.149008D+01 -0.106736D+02 -0.130698D+02  0.144592D+01
      3  -0.187744D+00 -0.302441D+01  0.185514D+02  0.121057D+02 -0.100698D+02
               116           117           118           119           120 
      1   0.583590D+01 -0.102661D+02  0.354733D+01 -0.582956D+00  0.424050D+00
      2  -0.122246D+02 -0.300397D+02  0.516208D+01 -0.650744D-01  0.176498D+01
      3   0.156209D+02  0.120312D+02 -0.278788D+01  0.406675D+01 -0.289555D+01
               121           122           123           124           125 
      1  -0.120984D+01  0.523836D+01 -0.186918D+01 -0.118259D+01  0.617746D+01
      2   0.103913D+01  0.324584D+01 -0.689792D+00 -0.111420D+01 -0.402082D+01
      3   0.764645D+01 -0.170586D+02 -0.195986D+01  0.287040D+01 -0.642318D+01
               126           127           128           129           130 
      1   0.762963D+01  0.352691D+01  0.155994D+01  0.295694D+01 -0.148058D+01
      2   0.146837D+02 -0.533275D+01 -0.106283D+00 -0.547147D+00  0.790365D+00
      3   0.506107D+01 -0.618695D+01 -0.113817D+01 -0.289370D+01  0.331488D+01
               131           132           133           134           135 
      1   0.456436D+00 -0.364347D+01  0.314205D+01  0.128712D+01  0.505558D+01
      2   0.124106D-01 -0.131075D+01 -0.272923D+01 -0.543978D+00  0.210036D+01
      3   0.412113D+00  0.820194D+00 -0.322481D+01 -0.153483D+01 -0.193310D+01
               136           137           138           139           140 
      1   0.217437D+01 -0.924566D+00 -0.251522D+01  0.110069D+01  0.303196D+00
      2   0.441979D+01  0.509984D+00 -0.130926D+01  0.467050D+00  0.114215D-01
      3   0.309674D+01  0.349973D-01 -0.231812D+01  0.183746D+01 -0.177358D+00
               141           142           143           144           145 
      1  -0.374303D+01 -0.197365D+01  0.211588D+01  0.626622D+01 -0.262656D+01
      2   0.653334D+00 -0.456158D+01 -0.479911D+00 -0.481707D+00 -0.980134D+01
      3  -0.837269D+00 -0.259772D+01  0.772916D+00  0.232450D+01  0.501837D+00
               146           147           148           149           150 
      1   0.325717D+01 -0.933617D+00  0.157855D+01 -0.159879D+01 -0.522760D+00
      2   0.169723D+01 -0.165419D+01  0.198634D+01 -0.992743D+00  0.327069D+00
      3  -0.152291D+01  0.821493D+00  0.887346D+00  0.108041D+01 -0.152120D+00
               151           152           153           154           155 
      1  -0.191996D+01  0.407402D+01 -0.321385D+01 -0.286300D+01 -0.239592D+01
      2  -0.425210D+01  0.365512D+00  0.216884D+00  0.529843D+01  0.153591D+01
      3   0.915106D+00 -0.246107D+01  0.173178D+01 -0.910399D+00 -0.104320D+01
               156           157           158           159           160 
      1   0.133991D+01 -0.771525D+00 -0.141994D+01 -0.156506D+00  0.340530D+01
      2  -0.150839D+01  0.659508D+00  0.259757D+00  0.318635D+00 -0.493695D+01
      3   0.100606D+01  0.105643D+01 -0.379568D+00  0.293773D+00  0.136619D+01
               161           162           163           164           165 
      1   0.542891D+01 -0.567751D+01 -0.131841D+01 -0.383494D+00  0.142675D+01
      2  -0.582894D+00 -0.196472D+01 -0.628864D+01  0.977178D+00  0.560969D+01
      3   0.229986D+01 -0.195391D+01 -0.924888D+00 -0.405495D+01  0.599796D+00
               166           167           168           169           170 
      1  -0.423825D-02 -0.421023D-01 -0.227043D+01  0.283685D+01  0.694972D+00
      2   0.187160D+01 -0.359829D+01 -0.498538D+01  0.524728D+01 -0.934435D+01
      3  -0.498354D+01  0.250455D+01  0.319821D+01  0.334080D+01  0.571603D+01
               171           172           173           174           175 
      1  -0.730029D+01  0.188853D+01 -0.138693D+01  0.175956D+01 -0.253901D+01
      2  -0.225489D+02  0.677138D+01 -0.263948D+01  0.483624D+01 -0.311152D+01
      3   0.449171D+01  0.263109D+01 -0.718743D+01  0.199337D+00 -0.558155D+01
               176           177           178           179           180 
      1   0.404946D+01 -0.474992D+01  0.197689D+01 -0.236746D+01  0.314636D+01
      2   0.793098D+01 -0.565235D+01  0.447042D+01 -0.727031D+01  0.472615D+01
      3   0.152852D+02 -0.425661D+01 -0.273518D+01 -0.903793D+01  0.421223D+01
               181           182           183           184           185 
      1   0.338141D+00 -0.512781D+00 -0.221291D+00  0.700860D-01  0.478370D+00
      2  -0.373398D+01  0.540888D+00  0.893865D+01 -0.122624D+00 -0.309073D+01
      3   0.637350D+01 -0.843762D+01 -0.858643D+00 -0.224712D+01  0.489321D+01
               186           187           188           189           190 
      1  -0.110334D+01 -0.571148D+00  0.100868D+01 -0.144876D+00 -0.166095D+01
      2   0.214735D-01  0.629515D+01  0.614671D+00 -0.637618D+00  0.208685D+02
      3   0.325784D+01  0.187089D+00  0.391429D+01 -0.727167D+00 -0.104077D+02
               191           192           193           194           195 
      1  -0.240485D+01  0.137193D+01 -0.154251D+01  0.264566D+00  0.289062D-01
      2  -0.337204D+01 -0.750815D+01 -0.265833D+01  0.531389D+01  0.213224D+01
      3   0.325756D+01  0.378965D+01  0.472807D+01 -0.339939D+01 -0.362314D+01
               196           197           198           199           200 
      1   0.873685D+00  0.204368D+01 -0.612690D+00  0.360756D+01  0.523006D+01
      2  -0.826061D+01  0.106962D+01  0.524669D+01  0.220849D+01  0.104380D+00
      3   0.241885D+01 -0.219466D+01 -0.143793D+01 -0.930623D+01 -0.115177D+02
               201           202           203           204           205 
      1  -0.572117D+00  0.581756D+01  0.794236D+01  0.391156D+00  0.918771D+00
      2   0.610068D+01 -0.170721D+00  0.487864D+01  0.678599D+01  0.256994D+01
      3  -0.360436D+01 -0.106572D+02 -0.200884D+02 -0.958672D+01 -0.183301D+01
               206           207           208           209           210 
      1   0.300904D+01  0.583951D+00 -0.260609D+01  0.321465D+01 -0.197770D+01
      2   0.303291D+01  0.343566D+01  0.568170D+01 -0.126966D+01  0.488187D+01
      3  -0.548800D+01 -0.389948D+01  0.276568D+01 -0.601234D+01  0.326598D+01
               211           212           213           214           215 
      1   0.290144D+01 -0.100204D+02  0.571832D+01 -0.234560D+01  0.820717D+01
      2  -0.107202D+01  0.905482D+01 -0.135069D+02  0.148269D+01 -0.815277D+01
      3  -0.341685D+01  0.145709D+02 -0.104180D+02  0.259174D+01 -0.886565D+01
               216           217           218           219           220 
      1  -0.637863D+01  0.173903D+01 -0.704313D+00 -0.163345D+01 -0.362660D+00
      2   0.146820D+02 -0.504341D+01 -0.294290D+00  0.330675D+01 -0.583914D+00
      3   0.913220D+01 -0.217844D+01 -0.256025D+01 -0.117805D+01 -0.512893D+00
               221           222           223           224           225 
      1   0.198856D+01  0.240222D+01 -0.166663D+01  0.507883D+01  0.166712D+02
      2  -0.231493D+01 -0.510229D+01 -0.369474D+00  0.231078D+00 -0.320952D+02
      3   0.140161D+01  0.233096D+01 -0.121775D+01  0.452835D+01 -0.770859D+00
               226           227           228           229           230 
      1  -0.437682D+01 -0.461394D+01 -0.308990D+01 -0.563118D+01 -0.893059D+01
      2   0.365066D+01  0.274027D+01  0.538339D+01  0.359535D+01  0.411663D+01
      3  -0.742754D+01 -0.111222D+02  0.132019D+01 -0.703034D+01 -0.225306D+02
               231           232           233           234           235 
      1  -0.396573D+01 -0.233639D+01 -0.190474D+01 -0.627222D+00 -0.763627D+00
      2   0.364426D+01  0.356556D+01  0.310531D+01 -0.433367D-01 -0.871800D+01
      3   0.355230D+00 -0.743206D+00 -0.508531D+01 -0.150267D+01 -0.219812D+02
               236           237           238           239           240 
      1   0.172465D+01  0.257128D+01  0.146628D+01 -0.147666D+01 -0.115445D+01
      2   0.206269D+01 -0.107848D+01  0.162969D+01 -0.116970D+01 -0.333510D+00
      3   0.684136D+01  0.632950D-02  0.730594D+01 -0.693245D+01 -0.685146D+00
               241           242           243           244           245 
      1   0.200409D+01  0.528159D+00  0.296494D+00  0.101272D+00 -0.395144D+00
      2  -0.334641D+01 -0.217803D+00 -0.211601D+01 -0.498517D+01 -0.468746D+00
      3   0.136162D+01 -0.259565D+01 -0.170533D+01 -0.294673D+01 -0.212270D+01
               246           247           248           249           250 
      1  -0.688365D+00 -0.826266D-01  0.198307D+00 -0.158022D+01 -0.732827D+00
      2   0.396315D+01  0.322884D-01 -0.328643D+01  0.515538D+01  0.113377D+01
      3   0.749093D-02 -0.937062D+00 -0.208224D+01  0.326229D+01 -0.101696D+01
               251           252           253           254           255 
      1   0.222541D+01  0.286010D+01 -0.205175D+01  0.796168D+00 -0.253703D+01
      2   0.435587D+01 -0.164529D+02  0.189990D+02  0.455109D+01  0.860702D+01
      3   0.429147D+01 -0.311469D+01 -0.164849D+02 -0.121266D+02 -0.484042D+00
               256           257           258           259           260 
      1  -0.117843D+01 -0.630170D+01 -0.587677D+01 -0.109610D+01 -0.736570D+00
      2   0.402696D+01  0.303173D+00  0.874014D+01  0.517484D+01  0.939831D+01
      3  -0.266784D+01  0.246248D+02  0.869934D+00  0.200075D+01 -0.244132D+01
               261           262           263           264           265 
      1   0.814248D+01 -0.468612D-02  0.695131D+00  0.628325D+00  0.116114D+01
      2  -0.161730D+02  0.109356D+01 -0.564149D+00  0.129272D+01 -0.109321D+01
      3  -0.677027D+01  0.295409D+01 -0.365753D+01  0.138728D+01 -0.601819D+01
               266           267           268           269           270 
      1  -0.415571D+01 -0.261050D+01 -0.173805D+00  0.855810D-01 -0.425009D+00
      2   0.406450D+01 -0.490041D+01  0.434749D+00 -0.156000D+01  0.154610D+01
      3   0.260356D+02 -0.500713D+01 -0.529379D+00  0.128977D+01  0.175062D+01
               271           272           273           274           275 
      1  -0.213580D+01 -0.834239D+00  0.509843D+00 -0.242796D+00 -0.295272D+01
      2   0.547944D+01  0.469470D+00 -0.247569D+01  0.161691D+01  0.356394D+01
      3   0.250592D+01  0.991233D+00  0.100096D+01  0.867066D+00  0.135096D+01
               276           277           278           279           280 
      1   0.200369D+01 -0.129876D+00  0.434182D+01 -0.105431D+02  0.867942D+00
      2  -0.533302D+01 -0.265149D+01 -0.248905D+01  0.249623D+02 -0.961119D+01
      3  -0.289977D+01  0.122929D+01 -0.405831D+01  0.302030D+01  0.155848D+02
               281           282           283           284           285 
      1   0.753921D+00 -0.177760D+01  0.956902D+00  0.586454D+00  0.207677D-01
      2  -0.150676D+00  0.772408D+01 -0.575200D+00 -0.123354D+01 -0.143051D+01
      3  -0.625816D+01 -0.766765D+00 -0.463806D+01 -0.486639D+00  0.443019D+00
               286           287           288           289           290 
      1  -0.190550D+01  0.870358D+00 -0.134693D+00  0.119836D+01 -0.647832D+00
      2   0.437580D+01 -0.837842D+00 -0.576528D+00 -0.926623D+00 -0.175442D+01
      3  -0.134121D+01  0.174860D+01  0.227990D+01 -0.466619D+01  0.665594D+01
               291           292           293           294           295 
      1   0.140799D+01 -0.316519D+00  0.620518D+01 -0.366203D+01  0.654692D+00
      2  -0.142372D+01 -0.894608D+00  0.351930D+01  0.370383D+01 -0.162409D+01
      3   0.311108D+00  0.389142D+01 -0.329156D+02 -0.235512D+01 -0.877667D+00
               296           297 
      1  -0.585276D+00 -0.622654D-01
      2   0.284469D+01  0.166958D+01
      3   0.993746D+00 -0.295912D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.800600D+01  0.112604D+02 -0.230405D+02 -0.183987D+01 -0.138658D+02
      2   0.193621D+01 -0.942863D+01  0.768787D+01 -0.696113D+01  0.229014D+02
      3   0.606979D+01 -0.183180D+01  0.153526D+02  0.880100D+01 -0.903559D+01
      4   0.113308D+02 -0.843382D+00  0.616574D+01  0.857760D+01 -0.655696D+01
      5  -0.138118D+02  0.540592D+01 -0.670864D+00  0.902071D+01  0.267956D+01
      6   0.456296D+01  0.472849D+01 -0.469611D+01 -0.714557D+00 -0.593782D+01
                 6             7             8             9            10 
      1   0.568059D+01  0.354668D+02 -0.260194D+01  0.108538D+02  0.483742D+02
      2  -0.116709D+02 -0.964858D+01 -0.187742D+01 -0.567319D+01 -0.226693D+02
      3   0.599028D+01 -0.258182D+02  0.447936D+01 -0.518066D+01 -0.257048D+02
      4   0.190995D+01 -0.399678D+01  0.173866D+01  0.692475D+01 -0.980982D+01
      5   0.702616D+01  0.589049D+01  0.684479D+01 -0.583214D+01 -0.759516D+01
      6   0.425616D+01  0.108187D+02 -0.256700D+01  0.732969D+01  0.213566D+01
                11            12            13            14            15 
      1   0.881891D+01 -0.165654D+01  0.144842D+02 -0.199769D+01  0.513221D+01
      2  -0.866264D+01  0.336626D+01 -0.138932D+02  0.711447D+01 -0.106245D+01
      3  -0.156273D+00 -0.170972D+01 -0.591026D+00 -0.511678D+01 -0.406976D+01
      4   0.250536D+01 -0.318470D+01  0.166109D+02 -0.653542D+01 -0.853659D+00
      5  -0.388522D+01  0.947832D+01  0.118767D+02  0.426859D+00 -0.384914D+01
      6   0.399361D+00 -0.727943D+01 -0.422720D+01  0.375327D+01  0.887947D+01
                16            17            18            19            20 
      1  -0.939663D+01  0.561433D+01 -0.198317D+02  0.887482D+01 -0.136034D+02
      2  -0.120627D+01  0.457014D+01  0.261665D+01  0.830265D+00  0.130823D+02
      3   0.106029D+02 -0.101845D+02  0.172150D+02 -0.970509D+01  0.521100D+00
      4   0.137123D+02 -0.681815D+00 -0.314186D+01 -0.960211D+01 -0.382509D-01
      5  -0.155216D+02 -0.392034D+01 -0.291772D+01  0.144649D+02  0.189282D+01
      6  -0.538164D+01  0.138492D+01 -0.443965D+01 -0.129751D+01 -0.576918D+01
                21            22            23            24            25 
      1   0.212303D+02  0.417898D+01 -0.113512D+02 -0.551282D+01 -0.161419D+02
      2  -0.121129D+02  0.443237D+01  0.180169D+02 -0.105970D+02  0.584252D+00
      3  -0.911738D+01 -0.861135D+01 -0.666571D+01  0.161098D+02  0.155576D+02
      4   0.265978D+01  0.138670D+02  0.639670D+01 -0.190020D+01 -0.409859D+01
      5  -0.110451D+02 -0.115048D+01 -0.103081D+01 -0.141389D+01  0.909804D+01
      6   0.618458D+01 -0.357316D+00 -0.745429D+01  0.555151D+01 -0.994942D+01
                26            27            28            29            30 
      1  -0.420399D+01  0.869898D+01  0.134602D+02 -0.315232D+01  0.252025D+01
      2  -0.416772D+01 -0.992912D+00 -0.278390D+01  0.700706D+01  0.454446D+00
      3   0.837171D+01 -0.770607D+01 -0.106763D+02 -0.385474D+01 -0.297469D+01
      4  -0.203229D+01 -0.591110D+01  0.191075D+02  0.230035D+01 -0.220223D+01
      5  -0.561864D+01  0.776148D+01  0.388861D+01 -0.187645D+01  0.755192D+01
      6   0.164841D+01  0.864325D+01  0.257027D+01 -0.671082D+00  0.514565D+01
                31            32            33            34            35 
      1  -0.245332D+01 -0.245872D+01  0.712526D+01 -0.740210D+01  0.865436D+01
      2   0.757073D+01  0.525247D+01 -0.179102D+01  0.155541D+01  0.351899D+01
      3  -0.511741D+01 -0.279375D+01 -0.533424D+01  0.584669D+01 -0.121733D+02
      4   0.128511D+02  0.100133D+01  0.121580D+01  0.105752D+02  0.484046D+01
      5   0.119844D+02  0.109021D+00  0.174365D+01 -0.183318D+02  0.337831D+01
      6  -0.137352D+01  0.357913D+01  0.608950D+01 -0.910848D+00  0.313088D+00
                36            37            38            39            40 
      1  -0.182452D+02 -0.311595D+01  0.388217D+01 -0.246703D+02 -0.862144D+01
      2   0.335884D+01 -0.101509D+01 -0.140589D+01  0.708165D+01 -0.199730D+01
      3   0.148864D+02  0.413103D+01 -0.247628D+01  0.175887D+02  0.106187D+02
      4   0.215725D+01  0.451594D+01 -0.111175D+01  0.316320D+01  0.398008D+01
      5   0.112785D+01 -0.180973D+02  0.293738D+01 -0.189134D+01  0.140251D+01
      6  -0.758435D+01  0.326832D+01  0.568299D+01  0.602931D+01  0.290126D+01
                41            42            43            44            45 
      1  -0.542726D+01 -0.567141D+01  0.210923D+02 -0.835555D+01  0.716635D+01
      2   0.593812D+01  0.263089D-01  0.322815D+00  0.136562D+01 -0.131770D+01
      3  -0.510863D+00  0.564511D+01 -0.214151D+02  0.698993D+01 -0.584865D+01
      4  -0.471627D+00  0.326016D+01  0.343790D+01  0.377538D+01  0.606133D+01
      5   0.124268D+01  0.727382D+01  0.114730D+02  0.541069D+01 -0.647345D+01
      6   0.287145D+01  0.839692D+01  0.105604D+02  0.289024D+01  0.110495D+02
                46            47            48            49            50 
      1   0.178557D+01 -0.719833D+01  0.208131D+02  0.128273D+02 -0.173200D+01
      2   0.618980D+01  0.301984D+01 -0.787844D+01 -0.321753D+01  0.318458D+01
      3  -0.797537D+01  0.417850D+01 -0.129346D+02 -0.960975D+01 -0.145259D+01
      4  -0.216534D+01  0.346105D+01 -0.188709D+01  0.935011D+01  0.497094D+01
      5   0.203856D+02 -0.283178D+00 -0.835771D+01 -0.872190D+01 -0.366556D+01
      6  -0.241279D+00 -0.398367D+01  0.477325D+00 -0.202897D+01  0.425475D+01
                51            52            53            54            55 
      1  -0.177103D+02 -0.216211D+02 -0.994615D+01  0.519618D+01 -0.265973D+02
      2   0.298453D+01  0.293914D+01  0.270451D+01  0.474088D+01  0.120585D+02
      3   0.147258D+02  0.186819D+02  0.724165D+01 -0.993706D+01  0.145388D+02
      4  -0.428565D+01  0.382515D+01 -0.259560D+01 -0.493533D+01 -0.770790D+01
      5  -0.266571D+01  0.944397D+01 -0.406648D+01  0.644689D+01 -0.576122D+01
      6   0.129698D+02 -0.586476D+01  0.670638D+01  0.137942D+02  0.124019D+01
                56            57            58            59            60 
      1  -0.109089D+02 -0.574309D+01 -0.343227D+02 -0.263917D+02  0.130875D+01
      2   0.785395D+01  0.503827D+00  0.246725D+02  0.651040D+01  0.639657D+01
      3   0.305498D+01  0.523927D+01  0.965023D+01  0.198813D+02 -0.770532D+01
      4  -0.308873D+02  0.272677D+00 -0.493561D+02  0.113097D+02 -0.161493D+02
      5  -0.236289D+00 -0.142281D+02 -0.112303D+01 -0.158774D+02  0.156160D+02
      6   0.460114D+00  0.191130D+01 -0.747408D-01  0.446076D+01 -0.598502D+01
                61            62            63            64            65 
      1  -0.146904D+02  0.127320D+01 -0.414987D+01 -0.963412D+02  0.314111D+02
      2  -0.201448D+01  0.756489D+01  0.681522D+01  0.521713D+02 -0.139462D+02
      3   0.167049D+02 -0.883810D+01 -0.266535D+01  0.441699D+02 -0.174649D+02
      4  -0.174176D+00 -0.205000D+02  0.288499D+02  0.303065D+02  0.269886D+02
      5  -0.260718D+02  0.251400D+02  0.364276D+02  0.247503D+02 -0.230190D+01
      6   0.119074D+02 -0.641137D+01 -0.115218D+02  0.106134D+01 -0.273812D+01
                66            67            68            69            70 
      1   0.244311D+02  0.641769D+02  0.263184D+02 -0.791536D+01  0.343727D+02
      2  -0.138755D+02 -0.293488D+02 -0.125151D+02  0.855517D+01 -0.139546D+02
      3  -0.105556D+02 -0.348281D+02 -0.138034D+02 -0.639817D+00 -0.204182D+02
      4  -0.119546D+01  0.326415D+02  0.114754D+02  0.243130D+02  0.223691D+01
      5   0.907753D+01 -0.164237D+01  0.258549D+02 -0.239644D+02  0.325431D+00
      6   0.214886D+01  0.175114D+01  0.671879D+01 -0.530974D+01 -0.302767D+01
                71            72            73            74            75 
      1  -0.464416D+01  0.460174D+01  0.387734D+02 -0.239789D+02 -0.195874D+02
      2   0.851365D+01 -0.209240D+01 -0.206500D+02  0.501774D+01  0.113109D+02
      3  -0.386949D+01 -0.250933D+01 -0.181235D+02  0.189612D+02  0.827651D+01
      4   0.227940D+02 -0.194807D+02 -0.228197D+02 -0.339662D+02 -0.632726D+01
      5  -0.201761D+02 -0.337870D+02 -0.117043D+02 -0.882345D+01 -0.199150D+02
      6  -0.612844D+01 -0.536787D+01 -0.157162D+02 -0.992441D+01 -0.109715D+01
                76            77            78            79            80 
      1  -0.317287D+02 -0.284817D+02 -0.103670D+01 -0.227266D+02  0.125227D+01
      2   0.636843D+01  0.182862D+02 -0.134268D+02  0.118201D+02 -0.130131D+02
      3   0.253602D+02  0.101955D+02  0.144635D+02  0.109066D+02  0.117609D+02
      4  -0.435613D+02 -0.152294D+02 -0.379742D+02 -0.172952D+01 -0.267061D+02
      5  -0.892793D+01 -0.451955D+02  0.242978D+02 -0.118879D+02  0.220092D+02
      6  -0.155478D+02 -0.715201D+01 -0.105400D+02  0.195795D+01 -0.869352D+01
                81            82            83            84            85 
      1  -0.116740D+02  0.393346D+02 -0.220476D+02 -0.119143D+02 -0.301508D+02
      2   0.172834D+01 -0.377151D+02 -0.803690D+00  0.551443D+01  0.440931D+00
      3   0.994568D+01 -0.161949D+01  0.228513D+02  0.639990D+01  0.297098D+02
      4   0.190925D+02 -0.185507D+02 -0.410804D+02 -0.195589D+00 -0.412056D+02
      5   0.128197D+02 -0.149509D+02  0.629688D+01 -0.632154D+01  0.368489D+01
      6   0.142776D+02  0.148827D+01  0.474144D+01 -0.337789D+01  0.312756D+01
                86            87            88            89            90 
      1  -0.273943D+02  0.886768D+01 -0.136140D+02  0.352141D+01 -0.433416D+00
      2  -0.920820D+00 -0.594742D+01  0.830585D+00 -0.740868D+01  0.253393D+02
      3   0.283151D+02 -0.292026D+01  0.127834D+02  0.388727D+01 -0.249059D+02
      4  -0.335854D+02 -0.152615D+02 -0.101857D+02 -0.232128D+02  0.121713D+02
      5  -0.130701D+02  0.238318D+02 -0.469043D+01  0.155924D+02  0.499256D+02
      6  -0.641214D+01  0.116860D+02 -0.159929D+01  0.108692D+02  0.105680D+02
                91            92            93            94            95 
      1   0.629270D+01 -0.401190D+01 -0.689808D+01 -0.826971D+01 -0.158783D+02
      2  -0.518413D+01 -0.821813D+00  0.120602D+01  0.753271D+01  0.824038D+01
      3  -0.110857D+01  0.483371D+01  0.569206D+01  0.737006D+00  0.763789D+01
      4  -0.157837D+02 -0.162683D+02 -0.492488D+01 -0.349723D+02  0.175006D+02
      5  -0.172337D+02 -0.321217D+01 -0.117477D+02 -0.100511D+02 -0.581085D+01
      6  -0.547260D+00 -0.573836D+01 -0.656116D+01 -0.198553D+01  0.220369D+01
                96            97            98            99           100 
      1  -0.706599D+01 -0.190167D+02 -0.742006D+01 -0.522199D+01  0.879374D+01
      2   0.307671D+01  0.396646D+01 -0.131558D+01  0.649476D+01 -0.321167D+01
      3   0.398927D+01  0.150502D+02  0.873564D+01 -0.127278D+01 -0.558207D+01
      4  -0.570299D+01 -0.182086D+02 -0.654475D+01 -0.220054D+02  0.764538D+01
      5  -0.194306D+02 -0.203410D+02 -0.206679D+02  0.223539D+02  0.105903D+02
      6  -0.342932D+01 -0.947368D+01 -0.530753D+01  0.772270D+01 -0.510131D+01
               101           102           103           104           105 
      1   0.180728D+01  0.400628D+01  0.115673D+02  0.619982D+01  0.169263D+01
      2  -0.126248D+00 -0.254355D+01 -0.111236D+02 -0.127464D+01  0.297559D+01
      3  -0.168103D+01 -0.146274D+01 -0.443680D+00 -0.492518D+01 -0.466821D+01
      4   0.229328D+01 -0.371498D+01 -0.170233D+01 -0.107357D+02  0.978767D+01
      5  -0.484468D+01 -0.230595D+01 -0.113016D+02  0.117780D+02  0.295379D+02
      6   0.351988D+01  0.661569D+01  0.537756D+01 -0.110802D+02 -0.185377D+02
               106           107           108           109           110 
      1   0.142494D+02  0.802206D+00  0.804124D+00  0.174655D+02 -0.139557D+02
      2  -0.234505D+01 -0.642379D+01  0.150245D+01 -0.105410D+02  0.651618D+01
      3  -0.119043D+02  0.562158D+01 -0.230658D+01 -0.692444D+01  0.743955D+01
      4  -0.906571D+01  0.194740D+02  0.239843D+02 -0.191274D+02  0.168188D+02
      5  -0.185938D+02  0.246873D+02  0.178839D+02 -0.275011D+02  0.939674D+01
      6   0.124597D+02 -0.208632D+02 -0.132529D+02  0.114017D+02 -0.281794D+01
               111           112           113           114           115 
      1  -0.210434D+02 -0.116811D+02 -0.863740D+01 -0.691556D+01 -0.234162D+02
      2   0.131692D+02  0.290053D+01  0.172262D+02  0.542050D+01  0.148338D+02
      3   0.787421D+01  0.878060D+01 -0.858877D+01  0.149506D+01  0.858241D+01
      4   0.122271D+02  0.265969D+02 -0.328590D+02 -0.242251D+02  0.219878D+02
      5   0.203294D+02  0.171501D+02 -0.263280D+02 -0.271724D+02  0.342244D+02
      6  -0.491485D+01 -0.802033D+01  0.246914D+02  0.266012D+02 -0.135338D+02
               116           117           118           119           120 
      1  -0.626223D+01 -0.672624D+01  0.731632D+01 -0.413886D+01  0.118546D+02
      2   0.617149D+01 -0.134487D+02 -0.635959D+01  0.737996D+01 -0.778260D+01
      3   0.907411D-01  0.201749D+02 -0.956728D+00 -0.324110D+01 -0.407196D+01
      4  -0.288340D+02 -0.257561D+02 -0.144363D+00 -0.537640D+01 -0.361609D+01
      5  -0.286407D+02 -0.646991D+02  0.107745D+02  0.759104D+00  0.735899D+01
      6   0.270165D+02  0.366930D+02 -0.424636D+01 -0.142118D+01 -0.142422D+01
               121           122           123           124           125 
      1   0.702879D+00 -0.321010D+01  0.324784D+01  0.146487D+02  0.170612D+01
      2   0.807226D+01 -0.149390D+02 -0.104693D+01 -0.815989D+01 -0.292793D+01
      3  -0.877514D+01  0.181491D+02 -0.220091D+01 -0.648886D+01  0.122181D+01
      4  -0.138949D+02  0.409940D+02  0.157416D+01 -0.924830D+01  0.119814D+02
      5   0.888448D+00  0.128593D+01 -0.144593D+01  0.160667D+02 -0.106679D+02
      6  -0.336772D+01  0.269593D+01  0.708452D+01 -0.433253D+01  0.130492D+02
               126           127           128           129           130 
      1  -0.168234D+01  0.335043D+01  0.270844D+01 -0.101806D+01  0.575700D+00
      2  -0.660597D+01 -0.290759D+01 -0.302652D+01 -0.188735D+01  0.239136D+00
      3   0.828832D+01 -0.442841D+00  0.318077D+00  0.290542D+01 -0.814837D+00
      4  -0.100587D+02 -0.955462D+01  0.765160D+01 -0.765341D+01  0.580393D+01
      5   0.294030D+02  0.159411D+02 -0.506651D+01  0.139404D+02 -0.710699D+01
      6  -0.168551D+02 -0.826358D+01  0.593959D+01 -0.831370D+01  0.579091D+01
               131           132           133           134           135 
      1  -0.350528D+01  0.518938D+01 -0.404375D+01  0.798166D+01 -0.143014D+02
      2   0.185810D+01 -0.432639D+00 -0.193770D+01 -0.417156D+01 -0.208919D+01
      3   0.164718D+01 -0.475674D+01  0.598146D+01 -0.381011D+01  0.163906D+02
      4  -0.567599D+01  0.597942D+01 -0.825947D+01  0.754788D+01 -0.105764D+02
      5   0.537976D+01 -0.814385D+01  0.154135D+02 -0.758659D+01  0.206499D+02
      6  -0.647533D+01  0.884154D+01 -0.105204D+02  0.119721D+02 -0.188958D+02
               136           137           138           139           140 
      1  -0.292284D+01 -0.186251D+01  0.550472D+01 -0.235039D+01 -0.445083D+01
      2  -0.266008D+01  0.505721D+00  0.272643D+01 -0.483224D+00  0.644172D+00
      3   0.558292D+01  0.135679D+01 -0.823114D+01  0.283362D+01  0.380666D+01
      4   0.530661D+01  0.367469D+01 -0.537557D+01  0.215967D+01  0.170279D+01
      5  -0.877225D+01 -0.327264D+01  0.112343D+02 -0.311441D+01 -0.251173D+01
      6  -0.606282D+01 -0.359693D+01  0.632903D+01 -0.304352D+01 -0.501510D+01
               141           142           143           144           145 
      1   0.819472D+01  0.757720D+01  0.104929D+02 -0.287650D+02  0.504037D+01
      2   0.332280D+00  0.196969D+01 -0.304919D+01 -0.544477D+01 -0.658284D+01
      3  -0.852700D+01 -0.954689D+01 -0.744370D+01  0.342098D+02  0.154247D+01
      4  -0.286853D+01 -0.567759D+01 -0.506572D+01  0.783566D+01 -0.140261D+01
      5   0.360348D+01  0.104035D+02  0.481011D+01 -0.162351D+02  0.125565D+02
      6   0.881254D+01  0.864458D+01  0.126875D+02 -0.236894D+02 -0.446159D+00
               146           147           148           149           150 
      1   0.153435D-01 -0.122405D+01  0.678568D+00 -0.120517D+01  0.484623D+01
      2   0.907609D+00 -0.472268D+01  0.199579D+01 -0.669766D+00  0.276983D+01
      3  -0.922952D+00  0.594673D+01 -0.267436D+01  0.187494D+01 -0.761606D+01
      4   0.394180D+01 -0.843919D+00  0.323963D+01 -0.326874D+01  0.127811D+01
      5  -0.293195D+01  0.103381D+02 -0.454427D+01  0.343230D+01 -0.595521D+01
      6   0.189349D+01 -0.709723D+00  0.100091D+01 -0.290291D+01  0.191207D+01
               151           152           153           154           155 
      1  -0.393432D+01  0.410408D+01 -0.130778D+02  0.442957D+00  0.943168D+00
      2  -0.612330D+01  0.138556D+01 -0.955301D+01 -0.572817D+01 -0.151891D+01
      3   0.100576D+02 -0.548964D+01  0.226309D+02  0.528521D+01  0.575743D+00
      4  -0.103379D+01  0.257887D+01 -0.171759D+01  0.168414D+01  0.286863D+01
      5   0.127139D+02 -0.401626D+01  0.160175D+02 -0.993769D+01 -0.240659D+01
      6  -0.152226D+01  0.460278D+01 -0.303581D+01  0.656402D+00 -0.178446D+01
               156           157           158           159           160 
      1   0.254114D+01 -0.192407D+01 -0.261945D+01  0.649196D+01  0.377225D+01
      2   0.568030D+01 -0.672388D+00 -0.893463D+00  0.299346D+01  0.737510D+01
      3  -0.822144D+01  0.259646D+01  0.351291D+01 -0.948542D+01 -0.111474D+02
      4  -0.504848D+00  0.183039D+01  0.122241D+01 -0.166059D+01 -0.189658D+01
      5   0.118629D+02 -0.244551D+01 -0.289491D+01  0.366987D+01  0.128759D+02
      6  -0.155931D+01 -0.129194D+01 -0.253278D+01  0.170013D+01  0.101318D+00
               161           162           163           164           165 
      1   0.339895D+01 -0.225606D+02  0.912854D+01 -0.283540D+01 -0.887168D+01
      2   0.225398D+01 -0.162630D+02 -0.762497D+01  0.844136D+00  0.635740D+01
      3  -0.565293D+01  0.388236D+02 -0.150357D+01  0.199127D+01  0.251428D+01
      4  -0.343256D+01  0.185993D+01 -0.685648D+01  0.105769D+02  0.745029D+01
      5   0.397431D+01 -0.208622D+02 -0.160671D+02  0.555379D+01  0.166154D+02
      6   0.500711D+01  0.122842D+00  0.495953D+01 -0.206907D+01 -0.347967D+01
               166           167           168           169           170 
      1   0.377425D+01  0.132725D+01 -0.241388D+01 -0.154224D+02 -0.414585D+01
      2  -0.307559D+01  0.723804D+00  0.118952D+01  0.132014D+02  0.662525D+00
      3  -0.698662D+00 -0.205106D+01  0.122436D+01  0.222102D+01  0.348333D+01
      4   0.126542D+02 -0.108603D+02 -0.977206D+01  0.128345D+02 -0.149082D+02
      5   0.554467D+01 -0.961231D+01 -0.101778D+02  0.279057D+02 -0.194753D+02
      6  -0.358518D+01  0.689302D+01  0.986690D+01 -0.955911D+01  0.122569D+02
               171           172           173           174           175 
      1  -0.310547D+01  0.195141D+02 -0.104101D+02  0.666522D+01 -0.106543D+02
      2  -0.112716D+02 -0.366663D+01 -0.268118D+00 -0.185527D+01 -0.403794D+01
      3   0.143771D+02 -0.158475D+02  0.106782D+02 -0.480996D+01  0.146922D+02
      4  -0.228922D+02 -0.226015D+02  0.257322D+02 -0.627241D+01  0.329965D+02
      5  -0.495380D+02  0.953060D+01 -0.414231D+01  0.766456D+01 -0.554181D+01
      6   0.195806D+02 -0.332891D+01  0.633068D+00 -0.182243D+01  0.235432D+01
               176           177           178           179           180 
      1   0.414160D+01 -0.576526D+00  0.176363D+02 -0.644975D+00  0.282611D+01
      2   0.176701D+02 -0.444884D+01 -0.451972D+01 -0.682609D+01  0.250410D+00
      3  -0.218117D+02  0.502537D+01 -0.131166D+02  0.747106D+01 -0.307652D+01
      4  -0.463487D+02  0.127106D+02 -0.149509D+02  0.232033D+02 -0.150410D+02
      5   0.114826D+02 -0.898350D+01  0.113628D+02 -0.131710D+02  0.831960D+01
      6  -0.500820D+01  0.561530D+01 -0.470309D+01  0.666227D+01 -0.431977D+01
               181           182           183           184           185 
      1   0.147995D+03 -0.179595D+02 -0.169829D+02 -0.266009D+02  0.144495D+02
      2  -0.751784D+02  0.931130D+01  0.838129D+01  0.131873D+02 -0.540373D+01
      3  -0.728163D+02  0.864815D+01  0.860161D+01  0.134137D+02 -0.904580D+01
      4  -0.137846D+02  0.132460D+02  0.161926D+01  0.177866D+02 -0.887439D+01
      5  -0.195324D+02  0.228190D+01  0.160108D+02  0.261130D+01 -0.614510D+01
      6   0.684004D+00 -0.108662D+01  0.131747D+01 -0.125334D+01 -0.407753D-01
               186           187           188           189           190 
      1   0.326182D+01 -0.193487D+02  0.248117D+01  0.169206D+02 -0.472821D+02
      2  -0.220112D+01  0.109349D+02 -0.216222D+01 -0.103064D+02  0.234108D+02
      3  -0.106071D+01  0.841384D+01 -0.318956D+00 -0.661424D+01  0.238713D+02
      4  -0.571353D+01  0.852148D+00 -0.530680D+01 -0.157105D+00 -0.457538D+01
      5  -0.681938D+00  0.233812D+02 -0.500526D+00 -0.454854D+01 -0.112011D+02
      6   0.241902D+01  0.128173D+00  0.262657D+01  0.752234D+00  0.616071D+01
               191           192           193           194           195 
      1   0.986185D+01  0.132473D+02  0.834904D+01 -0.817028D+01 -0.617534D+01
      2  -0.582236D+01 -0.199062D+01 -0.381020D+01  0.503788D+01  0.412436D+01
      3  -0.403949D+01 -0.112566D+02 -0.453884D+01  0.313240D+01  0.205098D+01
      4  -0.243449D+01 -0.114856D+01  0.187772D+01  0.351761D+01  0.554886D+01
      5  -0.111492D+01 -0.706047D+01 -0.621044D-01  0.460357D+01 -0.475361D+00
      6  -0.506647D+01 -0.634208D+01 -0.228734D+01  0.427175D+01  0.516290D+01
               196           197           198           199           200 
      1   0.975753D+01 -0.367051D+01 -0.989630D+01  0.332775D+02  0.213805D+02
      2  -0.191368D+01  0.214805D+01  0.105698D+01 -0.141635D+02 -0.554042D+01
      3  -0.784385D+01  0.152246D+01  0.883931D+01 -0.191140D+02 -0.158400D+02
      4   0.257559D+00  0.362574D+01 -0.165445D+01  0.341262D+02  0.320988D+02
      5   0.132851D+01 -0.158760D+01  0.301686D+01  0.268813D+02  0.171267D+02
      6  -0.371405D+01  0.414508D+01  0.219928D+01  0.126222D+02  0.116467D+02
               201           202           203           204           205 
      1   0.132471D+02  0.250185D+02  0.153609D+02  0.562881D+01  0.755680D+01
      2  -0.925032D+01 -0.612753D+01  0.325017D+01 -0.255659D+01 -0.636930D+01
      3  -0.399678D+01 -0.188910D+02 -0.186111D+02 -0.307221D+01 -0.118751D+01
      4   0.136719D+02  0.404605D+02  0.496887D+02  0.239115D+02  0.998237D+01
      5   0.218204D+02  0.239853D+02  0.280670D+02  0.208265D+02  0.184634D+02
      6   0.806555D+01  0.154324D+02  0.214696D+02  0.151010D+02  0.746429D+01
               206           207           208           209           210 
      1   0.185060D+01  0.690804D+01  0.106550D+02 -0.673550D+01  0.126561D+02
      2  -0.168090D+01 -0.571439D+01 -0.942112D+01  0.604193D+01 -0.113661D+02
      3  -0.169702D+00 -0.119365D+01 -0.123387D+01  0.693579D+00 -0.128993D+01
      4   0.127693D+02  0.121603D+02 -0.730243D+01  0.126139D+02 -0.571204D+01
      5   0.126511D+02  0.149572D+02  0.177716D+02 -0.812404D+01  0.191298D+02
      6   0.107932D+02  0.795218D+01 -0.159411D+01  0.434921D+01 -0.177406D+01
               211           212           213           214           215 
      1  -0.113470D+02  0.686845D+01 -0.364210D+01  0.108863D+02 -0.144083D+01
      2   0.105785D+02 -0.935610D+01  0.146120D+02 -0.119330D+02  0.103098D+02
      3   0.768530D+00  0.248765D+01 -0.109699D+02  0.104671D+01 -0.886899D+01
      4   0.136687D+02 -0.268918D+02  0.218985D+02 -0.586086D+01  0.164526D+02
      5  -0.153436D+02  0.250844D+02 -0.321550D+02  0.202317D+02 -0.199760D+02
      6   0.515503D+01 -0.123886D+02  0.961346D+01 -0.238449D+01  0.965507D+01
               216           217           218           219           220 
      1   0.258025D+01  0.102242D+01  0.188447D+01 -0.904842D+01 -0.131200D+01
      2  -0.199281D+02 -0.294614D+01  0.684549D+00  0.742439D+01  0.277584D+01
      3   0.173478D+02  0.192371D+01 -0.256902D+01  0.162403D+01 -0.146384D+01
      4  -0.181099D+02  0.277764D+01  0.675835D+01 -0.274810D+01  0.478504D+01
      5   0.377106D+02 -0.111521D+02 -0.102269D+01  0.146792D+02  0.140623D+01
      6  -0.796375D+01 -0.274188D+01 -0.138121D+01  0.203793D+01 -0.902294D+00
               221           222           223           224           225 
      1   0.891642D+00  0.155955D+00 -0.871882D+01  0.182317D+01 -0.117098D+02
      2  -0.198759D+01 -0.522671D+01  0.903424D+01 -0.399839D+01 -0.266472D+02
      3   0.109594D+01  0.507075D+01 -0.315417D+00  0.217522D+01  0.383570D+02
      4   0.617424D-01 -0.510995D+01 -0.495065D+01 -0.850320D+01  0.309063D+01
      5  -0.616577D+01 -0.109563D+02  0.179021D+02  0.219256D+01 -0.697989D+02
      6   0.784022D-01  0.313367D+01  0.452771D+01  0.733356D+01 -0.241301D+02
               226           227           228           229           230 
      1   0.266671D+02  0.203861D+02  0.169960D+01  0.187468D+02  0.103105D+02
      2  -0.196770D+00  0.525905D+01  0.212872D+00  0.811456D+01  0.280505D+02
      3  -0.264703D+02 -0.256451D+02 -0.191247D+01 -0.268613D+02 -0.383610D+02
      4   0.403912D+02  0.440997D+02 -0.168832D+01  0.468161D+02  0.690414D+02
      5  -0.409343D+01 -0.571291D+01  0.952321D+01 -0.578028D+01 -0.507610D+01
      6  -0.341148D+01 -0.502027D+01  0.540172D+01 -0.511390D+01 -0.880036D+01
               231           232           233           234           235 
      1  -0.455818D+00  0.662509D+01  0.169666D+01  0.368259D+01 -0.445654D+02
      2   0.869620D+00  0.390465D+00  0.503900D+01 -0.132686D+01  0.296897D+02
      3  -0.413802D+00 -0.701555D+01 -0.673566D+01 -0.235573D+01  0.148757D+02
      4  -0.165064D+01  0.772784D+01  0.126891D+02  0.780283D+01 -0.133346D+02
      5   0.688230D+01  0.775174D+01  0.627489D+01 -0.218377D+01  0.122225D+02
      6   0.639455D+01  0.437940D+01  0.492219D+01  0.510796D-01  0.107710D+00
               236           237           238           239           240 
      1   0.139785D+02  0.133082D+01  0.927287D+01 -0.112265D+02  0.362076D+00
      2  -0.136369D+02 -0.167100D+01 -0.799930D+01  0.128879D+02  0.235617D+00
      3  -0.341628D+00  0.340174D+00 -0.127357D+01 -0.166144D+01 -0.597693D+00
      4  -0.328885D+01  0.330430D+01  0.240911D+01  0.461643D+01  0.837711D+00
      5   0.493456D+00 -0.590050D+01 -0.135798D+01  0.281727D+01 -0.609732D+00
      6   0.331420D+01 -0.488984D+01  0.165813D+01 -0.131921D+01  0.945869D+00
               241           242           243           244           245 
      1   0.536088D+01 -0.276295D+01 -0.614572D+01  0.253217D+01  0.387554D+01
      2  -0.336258D+01  0.379511D+01  0.496449D+00 -0.404555D+01 -0.209870D+01
      3  -0.199830D+01 -0.103215D+01  0.564927D+01  0.151337D+01 -0.177684D+01
      4   0.141194D+01  0.376563D+01 -0.155926D+01  0.651424D+01  0.682611D+01
      5  -0.188037D+01 -0.476204D-01 -0.344128D+01 -0.112731D+02 -0.279981D+01
      6  -0.276808D+01  0.122326D+01 -0.746993D+00 -0.452021D+01 -0.735508D+00
               246           247           248           249           250 
      1  -0.606311D+01  0.448046D+01 -0.263488D+00  0.189849D+01 -0.773489D+01
      2   0.466393D+01 -0.214651D+01  0.115457D+01 -0.135969D+01  0.734909D+01
      3   0.139918D+01 -0.233396D+01 -0.891084D+00 -0.538802D+00  0.385800D+00
      4  -0.383467D+01  0.103034D+02  0.643641D+01 -0.784166D+01 -0.580130D+01
      5   0.123693D+02 -0.362195D+01 -0.805642D+01  0.106683D+02  0.162450D+02
      6   0.262695D+01 -0.218497D+01 -0.605696D+01  0.810892D+01  0.423936D+01
               251           252           253           254           255 
      1   0.212295D+01 -0.446051D+01 -0.857876D+02 -0.432815D+01  0.851533D+01
      2   0.750331D+00 -0.957348D+01  0.435325D+02  0.101412D+02 -0.583712D+01
      3  -0.287328D+01  0.140340D+02  0.422551D+02 -0.581310D+01 -0.267821D+01
      4  -0.101974D+02  0.107232D+02 -0.923410D+01  0.249738D+02  0.108488D+02
      5   0.947068D+01 -0.352510D+02  0.121722D+02  0.789903D+01  0.142052D+02
      6   0.757438D+01 -0.129411D+02  0.915231D+01  0.598404D+01  0.513077D+01
               256           257           258           259           260 
      1   0.154130D+02  0.352468D+02  0.288751D+01  0.289798D+02  0.333930D+01
      2  -0.398049D+01 -0.393543D+02 -0.678613D+01 -0.126734D+02 -0.300679D+01
      3  -0.114325D+02  0.410749D+01  0.389862D+01 -0.163064D+02 -0.332515D+00
      4   0.270620D+02 -0.282992D+02  0.556212D+01  0.201148D+02  0.144212D+02
      5   0.118304D+02  0.832371D+01  0.179183D+02  0.201862D+02  0.194863D+02
      6   0.623584D+01 -0.412854D+01  0.599006D+01  0.851059D+01  0.794667D+01
               261           262           263           264           265 
      1   0.157761D+02  0.643655D+01 -0.767347D+01  0.227440D+01 -0.646743D+01
      2   0.583721D+01  0.164675D+01 -0.957267D+00 -0.133127D+00 -0.765561D+01
      3  -0.216133D+02 -0.808330D+01  0.863074D+01 -0.214128D+01  0.141230D+02
      4   0.229385D+02 -0.130864D+02  0.166109D+02 -0.351607D+01  0.264966D+02
      5  -0.198372D+02  0.462912D+01 -0.384486D+01  0.329604D+01 -0.681307D+01
      6  -0.331790D+01 -0.303449D+01  0.285433D+01 -0.133472D+01  0.543426D+01
               266           267           268           269           270 
      1  -0.506281D+01  0.703518D+00  0.398438D+00  0.100225D+01 -0.660111D+00
      2   0.319559D+02 -0.516030D+01 -0.179166D+01  0.306595D+01  0.142985D+01
      3  -0.268931D+02  0.445678D+01  0.139323D+01 -0.406821D+01 -0.769743D+00
      4  -0.573904D+02  0.115805D+02  0.160736D+01 -0.309699D+01 -0.405373D+01
      5   0.125770D+02 -0.987875D+01  0.296702D+01 -0.407717D+01  0.384819D+01
      6  -0.133999D+02  0.740015D+01 -0.170802D+01  0.435704D+01 -0.268859D+01
               271           272           273           274           275 
      1   0.491208D+01 -0.970992D+00  0.590433D+01 -0.752928D+01 -0.653051D+01
      2  -0.594758D+01 -0.771739D+00 -0.219693D+01  0.359098D+01  0.307990D+01
      3   0.103550D+01  0.174273D+01 -0.370740D+01  0.393831D+01  0.345061D+01
      4  -0.231593D+01 -0.366131D+01  0.121005D-01 -0.360156D+01 -0.372746D+01
      5   0.360359D+01 -0.162778D+01  0.198091D+00 -0.425670D+01  0.386207D+01
      6  -0.368346D+00 -0.149176D+01 -0.104191D+01 -0.845274D+00 -0.397022D+00
               276           277           278           279           280 
      1  -0.358063D+00  0.102452D+02 -0.887153D-01 -0.119578D+02  0.132896D+03
      2   0.492008D+01 -0.676588D+01  0.419095D+01 -0.158733D+02 -0.635660D+02
      3  -0.456201D+01 -0.347937D+01 -0.410224D+01  0.278311D+02 -0.693300D+02
      4   0.424375D+01  0.434741D+01  0.820120D+01 -0.382143D+01  0.404494D+02
      5  -0.928450D+01  0.100999D+02 -0.279688D+01  0.440271D+02  0.971481D+01
      6   0.125521D+01  0.147787D+01  0.357697D+01  0.125743D+02 -0.102184D+01
               281           282           283           284           285 
      1   0.918798D+01 -0.161824D+01 -0.711236D+01  0.780751D+01 -0.134089D+00
      2  -0.126819D+01 -0.922505D-01  0.639983D+01 -0.567018D+00  0.500831D+00
      3  -0.791979D+01  0.171049D+01  0.712537D+00 -0.724050D+01 -0.366743D+00
      4   0.171157D+02  0.665475D+00  0.130941D+02  0.604998D+01 -0.117282D+01
      5   0.135573D+01  0.129635D+02 -0.133679D+01 -0.798567D+00 -0.253429D+01
      6   0.165672D+01  0.349576D+01  0.657206D+00  0.371833D+00  0.104098D+00
               286           287           288           289           290 
      1  -0.165899D+02 -0.143273D+01  0.951712D+01  0.183255D+01  0.132768D+02
      2   0.672028D+01 -0.157381D+00 -0.701652D+01  0.252173D+01 -0.129218D+02
      3   0.986964D+01  0.159011D+01 -0.250060D+01 -0.435428D+01 -0.354981D+00
      4  -0.667805D+01 -0.464871D+01  0.107498D+01  0.478440D+01 -0.534328D+01
      5   0.129064D+02 -0.844218D+00 -0.501075D+00 -0.192765D+01 -0.421740D+00
      6   0.327556D+01  0.553907D+00 -0.546543D+00 -0.127836D+00 -0.250734D+01
               291           292           293           294           295 
      1  -0.408973D-01  0.106653D+02 -0.316330D+02 -0.272305D+01 -0.431773D+01
      2  -0.556655D-01 -0.343522D+01  0.540394D+02  0.299472D+01  0.138111D+01
      3   0.965629D-01 -0.723011D+01 -0.224063D+02 -0.271670D+00  0.293662D+01
      4  -0.206698D+01  0.115412D+02  0.605044D+02  0.579599D+01 -0.309463D+01
      5  -0.261612D+01  0.285819D+01  0.323255D+01  0.688241D+01 -0.175531D+00
      6  -0.229968D+01  0.594377D+00  0.116357D+02  0.749621D+01 -0.319671D+00
               296           297 
      1  -0.112857D+01 -0.598451D+01
      2  -0.145542D+01  0.441335D+01
      3   0.258399D+01  0.157117D+01
      4  -0.359154D+01  0.414487D+01
      5   0.509478D+01  0.247511D+01
      6   0.705308D+01  0.143451D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep 29 16:08:42 2021, MaxMem=  6442450944 cpu:          112051.3 elap:           14020.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52711 -19.47139 -10.58067 -10.46383 -10.45558
 Alpha  occ. eigenvalues --  -10.44918 -10.44380 -10.44297 -10.44176 -10.44153
 Alpha  occ. eigenvalues --  -10.44081 -10.43858 -10.43527 -10.42083 -10.42037
 Alpha  occ. eigenvalues --   -1.25906  -1.15843  -1.01679  -0.96843  -0.94102
 Alpha  occ. eigenvalues --   -0.88894  -0.88415  -0.82122  -0.81870  -0.80056
 Alpha  occ. eigenvalues --   -0.75219  -0.73509  -0.70761  -0.68217  -0.63434
 Alpha  occ. eigenvalues --   -0.62264  -0.60369  -0.59440  -0.58665  -0.57565
 Alpha  occ. eigenvalues --   -0.56633  -0.54734  -0.54394  -0.53804  -0.53274
 Alpha  occ. eigenvalues --   -0.52602  -0.50316  -0.49318  -0.49039  -0.48442
 Alpha  occ. eigenvalues --   -0.47890  -0.46573  -0.45522  -0.44113  -0.43657
 Alpha  occ. eigenvalues --   -0.43515  -0.42865  -0.41574  -0.39689  -0.35404
 Alpha  occ. eigenvalues --   -0.33535
 Alpha virt. eigenvalues --   -0.01426  -0.00940  -0.00570  -0.00208   0.00457
 Alpha virt. eigenvalues --    0.00530   0.00971   0.01589   0.01981   0.02234
 Alpha virt. eigenvalues --    0.02688   0.02909   0.02962   0.04351   0.04640
 Alpha virt. eigenvalues --    0.04760   0.05107   0.05460   0.05907   0.06176
 Alpha virt. eigenvalues --    0.06354   0.07091   0.07520   0.08068   0.09071
 Alpha virt. eigenvalues --    0.09334   0.09436   0.10027   0.10311   0.10770
 Alpha virt. eigenvalues --    0.11113   0.11248   0.11403   0.11539   0.11896
 Alpha virt. eigenvalues --    0.12428   0.12635   0.12780   0.12962   0.13732
 Alpha virt. eigenvalues --    0.13792   0.13860   0.14345   0.14630   0.14897
 Alpha virt. eigenvalues --    0.15340   0.15639   0.16115   0.16528   0.16791
 Alpha virt. eigenvalues --    0.17263   0.17500   0.17673   0.18345   0.18679
 Alpha virt. eigenvalues --    0.18941   0.19499   0.19995   0.20085   0.20530
 Alpha virt. eigenvalues --    0.20826   0.21633   0.22273   0.22368   0.23052
 Alpha virt. eigenvalues --    0.23317   0.24174   0.24354   0.24958   0.25049
 Alpha virt. eigenvalues --    0.25923   0.26348   0.26989   0.27143   0.27629
 Alpha virt. eigenvalues --    0.27895   0.28302   0.28803   0.28995   0.29451
 Alpha virt. eigenvalues --    0.29984   0.30118   0.30295   0.30346   0.31149
 Alpha virt. eigenvalues --    0.31287   0.31632   0.32157   0.32353   0.33083
 Alpha virt. eigenvalues --    0.33446   0.33762   0.34436   0.34934   0.35101
 Alpha virt. eigenvalues --    0.35236   0.35640   0.36056   0.36434   0.37285
 Alpha virt. eigenvalues --    0.37531   0.38193   0.38757   0.39401   0.39795
 Alpha virt. eigenvalues --    0.39927   0.40570   0.40648   0.41781   0.41949
 Alpha virt. eigenvalues --    0.42194   0.42384   0.42853   0.43071   0.43533
 Alpha virt. eigenvalues --    0.43716   0.44327   0.44970   0.45090   0.45468
 Alpha virt. eigenvalues --    0.45527   0.46171   0.46300   0.46753   0.47528
 Alpha virt. eigenvalues --    0.47632   0.48857   0.49390   0.49865   0.49986
 Alpha virt. eigenvalues --    0.50334   0.50645   0.51551   0.51959   0.52102
 Alpha virt. eigenvalues --    0.52447   0.52652   0.53348   0.53909   0.54335
 Alpha virt. eigenvalues --    0.54660   0.54915   0.55204   0.55639   0.55896
 Alpha virt. eigenvalues --    0.56375   0.56982   0.57509   0.57922   0.58374
 Alpha virt. eigenvalues --    0.59011   0.59593   0.59797   0.60503   0.61007
 Alpha virt. eigenvalues --    0.61280   0.61728   0.62514   0.62871   0.63068
 Alpha virt. eigenvalues --    0.63455   0.63996   0.64184   0.64545   0.64868
 Alpha virt. eigenvalues --    0.65316   0.65803   0.66039   0.66519   0.67058
 Alpha virt. eigenvalues --    0.67715   0.68061   0.68227   0.68549   0.68917
 Alpha virt. eigenvalues --    0.69432   0.69887   0.70231   0.70691   0.71033
 Alpha virt. eigenvalues --    0.71346   0.71667   0.72212   0.72415   0.72933
 Alpha virt. eigenvalues --    0.73336   0.74192   0.74453   0.75157   0.75682
 Alpha virt. eigenvalues --    0.75790   0.76500   0.76865   0.76928   0.77933
 Alpha virt. eigenvalues --    0.78305   0.79235   0.79743   0.79977   0.80768
 Alpha virt. eigenvalues --    0.81148   0.81405   0.82273   0.82349   0.82846
 Alpha virt. eigenvalues --    0.83700   0.84161   0.84322   0.85046   0.85809
 Alpha virt. eigenvalues --    0.86114   0.86735   0.87521   0.87897   0.88641
 Alpha virt. eigenvalues --    0.88943   0.89789   0.90682   0.90768   0.91681
 Alpha virt. eigenvalues --    0.92134   0.92525   0.93715   0.94157   0.94759
 Alpha virt. eigenvalues --    0.95689   0.96109   0.96858   0.98008   0.98656
 Alpha virt. eigenvalues --    0.99054   1.00307   1.00735   1.01843   1.02678
 Alpha virt. eigenvalues --    1.02925   1.03379   1.05033   1.05552   1.06140
 Alpha virt. eigenvalues --    1.07394   1.08840   1.09332   1.10101   1.11542
 Alpha virt. eigenvalues --    1.12304   1.12798   1.13900   1.14190   1.15321
 Alpha virt. eigenvalues --    1.15613   1.16095   1.16982   1.19005   1.19567
 Alpha virt. eigenvalues --    1.20541   1.21455   1.22251   1.23006   1.23757
 Alpha virt. eigenvalues --    1.24364   1.24841   1.25557   1.26529   1.28403
 Alpha virt. eigenvalues --    1.29161   1.29941   1.30910   1.32861   1.34014
 Alpha virt. eigenvalues --    1.35436   1.38385   1.39115   1.40119   1.41525
 Alpha virt. eigenvalues --    1.41801   1.43616   1.44835   1.45085   1.45943
 Alpha virt. eigenvalues --    1.47039   1.47300   1.48690   1.49836   1.51286
 Alpha virt. eigenvalues --    1.51885   1.52360   1.53219   1.54357   1.55638
 Alpha virt. eigenvalues --    1.56144   1.57149   1.58495   1.59065   1.60876
 Alpha virt. eigenvalues --    1.61101   1.62308   1.63333   1.63734   1.64801
 Alpha virt. eigenvalues --    1.65786   1.66676   1.67018   1.67804   1.68619
 Alpha virt. eigenvalues --    1.69166   1.70980   1.71671   1.72030   1.73337
 Alpha virt. eigenvalues --    1.75172   1.75492   1.77168   1.77362   1.78099
 Alpha virt. eigenvalues --    1.78657   1.79135   1.80477   1.80885   1.81746
 Alpha virt. eigenvalues --    1.82393   1.83039   1.84469   1.84995   1.86129
 Alpha virt. eigenvalues --    1.87169   1.88085   1.88878   1.89166   1.89680
 Alpha virt. eigenvalues --    1.90704   1.91019   1.92614   1.93789   1.94358
 Alpha virt. eigenvalues --    1.94793   1.96444   1.96942   1.97873   1.98043
 Alpha virt. eigenvalues --    1.98641   1.99120   1.99760   2.00091   2.01503
 Alpha virt. eigenvalues --    2.02006   2.02312   2.04169   2.04590   2.05952
 Alpha virt. eigenvalues --    2.06438   2.07774   2.08011   2.09932   2.10277
 Alpha virt. eigenvalues --    2.10811   2.12247   2.13081   2.13945   2.14347
 Alpha virt. eigenvalues --    2.14997   2.16980   2.17259   2.18769   2.19241
 Alpha virt. eigenvalues --    2.20368   2.21121   2.22377   2.22476   2.23565
 Alpha virt. eigenvalues --    2.24423   2.25369   2.26151   2.27131   2.27592
 Alpha virt. eigenvalues --    2.28162   2.28969   2.31296   2.32828   2.34385
 Alpha virt. eigenvalues --    2.34944   2.35805   2.36720   2.37073   2.37641
 Alpha virt. eigenvalues --    2.38183   2.38293   2.38986   2.39347   2.40469
 Alpha virt. eigenvalues --    2.40902   2.43336   2.45310   2.47950   2.49666
 Alpha virt. eigenvalues --    2.51657   2.52428   2.54262   2.55174   2.56000
 Alpha virt. eigenvalues --    2.57300   2.58424   2.60056   2.60447   2.61074
 Alpha virt. eigenvalues --    2.64063   2.66520   2.67621   2.68737   2.69448
 Alpha virt. eigenvalues --    2.71532   2.73569   2.74328   2.75293   2.76518
 Alpha virt. eigenvalues --    2.76824   2.79976   2.82449   2.84397   2.85857
 Alpha virt. eigenvalues --    2.87261   2.90330   2.93936   2.96060   2.97250
 Alpha virt. eigenvalues --    2.99210   3.00417   3.10913   3.11805   3.14717
 Alpha virt. eigenvalues --    3.15263   3.22988   3.24676   3.27404   3.41009
 Alpha virt. eigenvalues --    3.42656   3.47309   3.47935   3.51410   3.53131
 Alpha virt. eigenvalues --    3.53969   3.56834   3.60174   3.65984   3.71188
 Alpha virt. eigenvalues --    3.73965   3.77169   3.86243   3.96728   4.10594
 Alpha virt. eigenvalues --    4.81090
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   61.243778 -27.378998 -33.217301  16.285662 -17.546794  10.227842
     2  C  -27.378998  42.675993  17.527454 -17.513905  14.787711 -25.347428
     3  C  -33.217301  17.527454  63.836644 -26.168532   7.218499 -18.700022
     4  C   16.285662 -17.513905 -26.168532  45.361843 -22.114653  13.074554
     5  C  -17.546794  14.787711   7.218499 -22.114653  59.026044 -30.073058
     6  C   10.227842 -25.347428 -18.700022  13.074554 -30.073058  61.259704
     7  C   -4.072251   0.226383   2.835944  -2.906813   2.449753  -4.741424
     8  C    0.370768  -0.115419  -0.066616   0.094345  -0.091568   0.388231
     9  C    0.057642  -0.178735   0.142540  -0.073633   0.106516  -0.580314
    10  C   -0.528744   0.035142   0.146027  -0.117815   0.009077  -0.070810
    11  C    2.520682  -2.499274  -4.875874  -4.924493  -3.979357   2.719134
    12  C   -0.047812  -0.080141  -0.281894   0.924196  -1.474753   0.107235
    13  O   -0.014212   0.022028   0.039793   0.099210   0.078784  -0.047918
    14  O   -0.006025   0.003612   0.029262   0.147104   0.131847  -0.120519
    15  H   -5.206917   2.865034   1.619877  -1.026273  -0.105631   0.520438
    16  H    1.708629  -1.187839  -5.327030   3.165152   0.655346  -0.166892
    17  H   -0.369670  -0.704044   0.752848   1.885103  -5.080129   1.849743
    18  H    0.538035   2.920506  -0.085336  -1.196883   1.918713  -5.540436
    19  H   -0.675198  -0.135147  -0.351645   0.122388   0.612685   0.841667
    20  H    0.868747  -0.284532   0.626054   0.058497  -0.343165  -0.684883
    21  H    0.074626  -0.084329  -0.024182   0.034095  -0.021642   0.069885
    22  H    0.215524   0.111531  -0.192049   0.091042   0.026017  -0.145787
    23  H   -0.120510  -0.051941   0.020441  -0.023435   0.005698   0.058999
    24  H   -0.043459   0.149825   0.168855  -0.020294   0.031977  -0.045671
    25  H   -0.054445   0.069382   0.032675  -0.007066   0.188112   0.006025
    26  H    0.059141  -0.021541   0.003549  -0.025785   0.006270  -0.120165
    27  H   -0.155043   0.147858   0.045616   0.060720  -0.212240   0.199472
    28  H    0.219787  -0.026670   0.088877   0.742896  -0.376552  -0.018484
    29  C    0.130644  -0.315354  -0.552402  -0.354834  -0.321388   0.235999
    30  H    0.012381  -0.008340  -0.031336  -0.052761  -0.020849   0.032696
    31  H    0.148006  -0.212434  -0.122135  -0.243254  -0.487119   0.266885
    32  H   -0.082782   0.105795  -0.052255   1.143790   0.145276  -0.107671
    33  H    0.062722  -0.062235   0.067540  -0.620727   0.003739   0.055862
               7          8          9         10         11         12
     1  C   -4.072251   0.370768   0.057642  -0.528744   2.520682  -0.047812
     2  C    0.226383  -0.115419  -0.178735   0.035142  -2.499274  -0.080141
     3  C    2.835944  -0.066616   0.142540   0.146027  -4.875874  -0.281894
     4  C   -2.906813   0.094345  -0.073633  -0.117815  -4.924493   0.924196
     5  C    2.449753  -0.091568   0.106516   0.009077  -3.979357  -1.474753
     6  C   -4.741424   0.388231  -0.580314  -0.070810   2.719134   0.107235
     7  C   13.548589  -1.007563   0.323524   0.275710  -0.545008  -0.014629
     8  C   -1.007563   9.618786  -0.759134  -0.758537   0.044721  -0.002520
     9  C    0.323524  -0.759134   5.568892  -0.264459  -0.050162   0.007289
    10  C    0.275710  -0.758537  -0.264459   5.591403  -0.025415  -0.004117
    11  C   -0.545008   0.044721  -0.050162  -0.025415  21.663567  -2.566942
    12  C   -0.014629  -0.002520   0.007289  -0.004117  -2.566942   8.299108
    13  O    0.001490  -0.000039  -0.000048   0.000457  -0.153658   0.520436
    14  O   -0.003829   0.000591   0.000173  -0.001140  -0.651947   0.372540
    15  H   -0.020918  -0.049907   0.010723   0.025552   0.142839  -0.002150
    16  H    0.110796  -0.011131   0.013622   0.005048   0.086260   0.007666
    17  H    0.156960  -0.017567   0.004854   0.024061   0.187935   0.096811
    18  H    0.169530  -0.047769   0.033165   0.025472  -0.022222   0.023336
    19  H   -0.799000   0.072784  -0.003931  -0.002571  -0.004749  -0.004881
    20  H   -0.683805   0.133409   0.010362   0.004132  -0.015531   0.002257
    21  H    0.084015  -1.577805   0.210624   0.216114   0.002889   0.000080
    22  H   -0.243219  -0.175081   0.625640  -0.292333   0.010871   0.000235
    23  H    0.154945  -0.016580   0.076213   0.153922  -0.005550   0.001393
    24  H   -0.289414   0.458287  -0.322459   0.016834   0.002475  -0.000229
    25  H   -0.253239   0.441056   0.015489  -0.334954  -0.003326   0.001642
    26  H    0.135020  -0.005078   0.168632   0.054271  -0.000454  -0.000817
    27  H   -0.245710  -0.173270  -0.300322   0.661098   0.008234  -0.001808
    28  H   -0.022797   0.002902  -0.002215  -0.001651  -2.117497   0.214264
    29  C   -0.073025   0.001117  -0.002573  -0.001582   0.512012   0.179257
    30  H   -0.000260   0.000107   0.000135  -0.000199   0.230101  -0.224440
    31  H   -0.022730   0.001528  -0.000947  -0.000718   0.355450   0.031330
    32  H    0.004661  -0.000354   0.000093   0.000062  -0.910134  -0.050598
    33  H   -0.012835   0.000352  -0.000161  -0.000330   0.521527   0.017820
              13         14         15         16         17         18
     1  C   -0.014212  -0.006025  -5.206917   1.708629  -0.369670   0.538035
     2  C    0.022028   0.003612   2.865034  -1.187839  -0.704044   2.920506
     3  C    0.039793   0.029262   1.619877  -5.327030   0.752848  -0.085336
     4  C    0.099210   0.147104  -1.026273   3.165152   1.885103  -1.196883
     5  C    0.078784   0.131847  -0.105631   0.655346  -5.080129   1.918713
     6  C   -0.047918  -0.120519   0.520438  -0.166892   1.849743  -5.540436
     7  C    0.001490  -0.003829  -0.020918   0.110796   0.156960   0.169530
     8  C   -0.000039   0.000591  -0.049907  -0.011131  -0.017567  -0.047769
     9  C   -0.000048   0.000173   0.010723   0.013622   0.004854   0.033165
    10  C    0.000457  -0.001140   0.025552   0.005048   0.024061   0.025472
    11  C   -0.153658  -0.651947   0.142839   0.086260   0.187935  -0.022222
    12  C    0.520436   0.372540  -0.002150   0.007666   0.096811   0.023336
    13  O    7.725622  -0.035228  -0.001175   0.002455  -0.007318  -0.002065
    14  O   -0.035228   8.015598  -0.000873   0.006954  -0.074224  -0.001931
    15  H   -0.001175  -0.000873   3.469975  -0.187332   0.007845  -0.046984
    16  H    0.002455   0.006954  -0.187332   3.154654  -0.041789   0.013942
    17  H   -0.007318  -0.074224   0.007845  -0.041789   3.783022  -0.266086
    18  H   -0.002065  -0.001931  -0.046984   0.013942  -0.266086   3.622020
    19  H    0.000219  -0.000172   0.035667  -0.005949  -0.002487  -0.054305
    20  H   -0.000025  -0.000015  -0.055406  -0.001226  -0.004975   0.035069
    21  H   -0.000009   0.000024   0.007071  -0.001538  -0.001438   0.005406
    22  H   -0.000331  -0.000038  -0.018552  -0.007142  -0.000083   0.013995
    23  H   -0.000072   0.000031   0.008225   0.001199  -0.000585   0.001434
    24  H    0.000056  -0.000006  -0.000990  -0.000486   0.001568  -0.004448
    25  H    0.000001   0.000113  -0.004796   0.001423  -0.000885  -0.000387
    26  H    0.000063  -0.000166   0.001558  -0.000739   0.001849   0.009410
    27  H   -0.000048   0.000501   0.014744  -0.000683  -0.004549  -0.025877
    28  H    0.061066   0.080113  -0.009719  -0.097683  -0.021275  -0.000302
    29  C   -0.025890   0.066718   0.015685   0.010196  -0.052492   0.006693
    30  H   -0.020049   0.310114   0.000342  -0.002526   0.007176   0.001943
    31  H   -0.005056   0.011130   0.004295  -0.012005  -0.102479   0.004703
    32  H    0.010585   0.008949  -0.001615   0.017798   0.031634  -0.004538
    33  H   -0.000036   0.017201   0.001555  -0.005894  -0.012260   0.002303
              19         20         21         22         23         24
     1  C   -0.675198   0.868747   0.074626   0.215524  -0.120510  -0.043459
     2  C   -0.135147  -0.284532  -0.084329   0.111531  -0.051941   0.149825
     3  C   -0.351645   0.626054  -0.024182  -0.192049   0.020441   0.168855
     4  C    0.122388   0.058497   0.034095   0.091042  -0.023435  -0.020294
     5  C    0.612685  -0.343165  -0.021642   0.026017   0.005698   0.031977
     6  C    0.841667  -0.684883   0.069885  -0.145787   0.058999  -0.045671
     7  C   -0.799000  -0.683805   0.084015  -0.243219   0.154945  -0.289414
     8  C    0.072784   0.133409  -1.577805  -0.175081  -0.016580   0.458287
     9  C   -0.003931   0.010362   0.210624   0.625640   0.076213  -0.322459
    10  C   -0.002571   0.004132   0.216114  -0.292333   0.153922   0.016834
    11  C   -0.004749  -0.015531   0.002889   0.010871  -0.005550   0.002475
    12  C   -0.004881   0.002257   0.000080   0.000235   0.001393  -0.000229
    13  O    0.000219  -0.000025  -0.000009  -0.000331  -0.000072   0.000056
    14  O   -0.000172  -0.000015   0.000024  -0.000038   0.000031  -0.000006
    15  H    0.035667  -0.055406   0.007071  -0.018552   0.008225  -0.000990
    16  H   -0.005949  -0.001226  -0.001538  -0.007142   0.001199  -0.000486
    17  H   -0.002487  -0.004975  -0.001438  -0.000083  -0.000585   0.001568
    18  H   -0.054305   0.035069   0.005406   0.013995   0.001434  -0.004448
    19  H    2.622969  -0.859430   0.007190   0.020198  -0.016344   0.026822
    20  H   -0.859430   2.611978   0.004730  -0.025137   0.027893  -0.035178
    21  H    0.007190   0.004730   2.515272   0.125331  -0.058650  -0.093070
    22  H    0.020198  -0.025137   0.125331   2.087661  -0.606576  -0.360492
    23  H   -0.016344   0.027893  -0.058650  -0.606576   2.220475  -0.580805
    24  H    0.026822  -0.035178  -0.093070  -0.360492  -0.580805   2.152442
    25  H   -0.036265   0.027234  -0.092502   0.003736   0.038085  -0.017871
    26  H    0.030021  -0.018144  -0.059154   0.011425  -0.068865   0.038592
    27  H   -0.027509   0.022649   0.126997  -0.068243   0.012700   0.002076
    28  H    0.000187  -0.000737   0.000223   0.000805  -0.000044  -0.000340
    29  C   -0.001148  -0.003617   0.000233   0.001085  -0.000408   0.000489
    30  H   -0.000205   0.000089   0.000011   0.000122   0.000027  -0.000035
    31  H   -0.000566  -0.000630   0.000084   0.000064  -0.000044  -0.000047
    32  H    0.000346   0.000098  -0.000009  -0.000021  -0.000002   0.000057
    33  H   -0.000738  -0.000042   0.000049  -0.000035  -0.000036   0.000063
              25         26         27         28         29         30
     1  C   -0.054445   0.059141  -0.155043   0.219787   0.130644   0.012381
     2  C    0.069382  -0.021541   0.147858  -0.026670  -0.315354  -0.008340
     3  C    0.032675   0.003549   0.045616   0.088877  -0.552402  -0.031336
     4  C   -0.007066  -0.025785   0.060720   0.742896  -0.354834  -0.052761
     5  C    0.188112   0.006270  -0.212240  -0.376552  -0.321388  -0.020849
     6  C    0.006025  -0.120165   0.199472  -0.018484   0.235999   0.032696
     7  C   -0.253239   0.135020  -0.245710  -0.022797  -0.073025  -0.000260
     8  C    0.441056  -0.005078  -0.173270   0.002902   0.001117   0.000107
     9  C    0.015489   0.168632  -0.300322  -0.002215  -0.002573   0.000135
    10  C   -0.334954   0.054271   0.661098  -0.001651  -0.001582  -0.000199
    11  C   -0.003326  -0.000454   0.008234  -2.117497   0.512012   0.230101
    12  C    0.001642  -0.000817  -0.001808   0.214264   0.179257  -0.224440
    13  O    0.000001   0.000063  -0.000048   0.061066  -0.025890  -0.020049
    14  O    0.000113  -0.000166   0.000501   0.080113   0.066718   0.310114
    15  H   -0.004796   0.001558   0.014744  -0.009719   0.015685   0.000342
    16  H    0.001423  -0.000739  -0.000683  -0.097683   0.010196  -0.002526
    17  H   -0.000885   0.001849  -0.004549  -0.021275  -0.052492   0.007176
    18  H   -0.000387   0.009410  -0.025877  -0.000302   0.006693   0.001943
    19  H   -0.036265   0.030021  -0.027509   0.000187  -0.001148  -0.000205
    20  H    0.027234  -0.018144   0.022649  -0.000737  -0.003617   0.000089
    21  H   -0.092502  -0.059154   0.126997   0.000223   0.000233   0.000011
    22  H    0.003736   0.011425  -0.068243   0.000805   0.001085   0.000122
    23  H    0.038085  -0.068865   0.012700  -0.000044  -0.000408   0.000027
    24  H   -0.017871   0.038592   0.002076  -0.000340   0.000489  -0.000035
    25  H    2.161056  -0.579165  -0.362622  -0.000240   0.000168   0.000055
    26  H   -0.579165   2.224532  -0.610597   0.000107  -0.000172  -0.000035
    27  H   -0.362622  -0.610597   2.098323  -0.000024   0.002152  -0.000322
    28  H   -0.000240   0.000107  -0.000024   2.675628   0.055342   0.011709
    29  C    0.000168  -0.000172   0.002152   0.055342   5.057823  -0.018785
    30  H    0.000055  -0.000035  -0.000322   0.011709  -0.018785   0.568161
    31  H   -0.000276  -0.000029   0.000848   0.081967   0.572193  -0.005888
    32  H    0.000065  -0.000004   0.000064   0.002518  -0.225343   0.000600
    33  H    0.000054  -0.000054  -0.000010  -0.005573   0.085696   0.003178
              31         32         33
     1  C    0.148006  -0.082782   0.062722
     2  C   -0.212434   0.105795  -0.062235
     3  C   -0.122135  -0.052255   0.067540
     4  C   -0.243254   1.143790  -0.620727
     5  C   -0.487119   0.145276   0.003739
     6  C    0.266885  -0.107671   0.055862
     7  C   -0.022730   0.004661  -0.012835
     8  C    0.001528  -0.000354   0.000352
     9  C   -0.000947   0.000093  -0.000161
    10  C   -0.000718   0.000062  -0.000330
    11  C    0.355450  -0.910134   0.521527
    12  C    0.031330  -0.050598   0.017820
    13  O   -0.005056   0.010585  -0.000036
    14  O    0.011130   0.008949   0.017201
    15  H    0.004295  -0.001615   0.001555
    16  H   -0.012005   0.017798  -0.005894
    17  H   -0.102479   0.031634  -0.012260
    18  H    0.004703  -0.004538   0.002303
    19  H   -0.000566   0.000346  -0.000738
    20  H   -0.000630   0.000098  -0.000042
    21  H    0.000084  -0.000009   0.000049
    22  H    0.000064  -0.000021  -0.000035
    23  H   -0.000044  -0.000002  -0.000036
    24  H   -0.000047   0.000057   0.000063
    25  H   -0.000276   0.000065   0.000054
    26  H   -0.000029  -0.000004  -0.000054
    27  H    0.000848   0.000064  -0.000010
    28  H    0.081967   0.002518  -0.005573
    29  C    0.572193  -0.225343   0.085696
    30  H   -0.005888   0.000600   0.003178
    31  H    1.683802  -0.423911  -0.321784
    32  H   -0.423911   1.965998  -0.365781
    33  H   -0.321784  -0.365781   1.707338
 Mulliken charges:
               1
     1  C    0.775546
     2  C    0.560050
     3  C    0.846112
     4  C    0.100556
     5  C    0.846835
     6  C    0.597110
     7  C    1.481148
     8  C   -0.753048
     9  C    1.162963
    10  C    1.160991
    11  C    0.342894
    12  C   -0.049167
    13  O   -0.249090
    14  O   -0.306461
    15  H   -1.012188
    16  H   -0.903257
    17  H   -1.027075
    18  H   -1.046106
    19  H   -0.410901
    20  H   -0.416721
    21  H   -0.470619
    22  H   -0.210164
    23  H   -0.231228
    24  H   -0.235126
    25  H   -0.238334
    26  H   -0.233475
    27  H   -0.215175
    28  H   -0.536588
    29  C    1.015512
    30  H    0.207082
    31  H   -0.200234
    32  H   -0.213370
    33  H   -0.138471
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.236642
     2  C    0.560050
     3  C   -0.057145
     4  C    0.100556
     5  C   -0.180241
     6  C   -0.448996
     7  C    0.653526
     8  C   -1.223667
     9  C    0.486444
    10  C    0.474008
    11  C   -0.193694
    12  C   -0.049167
    13  O   -0.249090
    14  O   -0.099380
    29  C    0.463437
 Electronic spatial extent (au):  <R**2>=           4250.0885
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8875    Y=             -0.8170    Z=             -1.6073  Tot=              2.0096
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.6482   YY=            -90.9926   ZZ=            -92.9513
   XY=              1.8649   XZ=              5.6922   YZ=             -6.8431
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.5492   YY=             -0.7952   ZZ=             -2.7539
   XY=              1.8649   XZ=              5.6922   YZ=             -6.8431
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.2187  YYY=             29.4570  ZZZ=             -6.7908  XYY=            -18.5157
  XXY=             -4.1566  XXZ=            -21.1101  XZZ=              6.6711  YZZ=             -7.0806
  YYZ=             -5.9286  XYZ=             16.7764
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4242.2405 YYYY=           -728.5365 ZZZZ=           -638.3462 XXXY=            -20.3373
 XXXZ=             69.2976 YYYX=            -77.7210 YYYZ=            -28.4329 ZZZX=              6.4963
 ZZZY=            -23.3684 XXYY=           -794.4169 XXZZ=           -875.0041 YYZZ=           -244.3801
 XXYZ=            -60.0001 YYXZ=             44.3700 ZZXY=              5.4970
 N-N= 9.839721115949D+02 E-N=-3.494307249858D+03  KE= 6.520931739400D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep 29 16:08:42 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3821    0.3673       -0.4074   -0.4099
 2     -0.3821   -0.3673        3.2578    3.2763      -36.1771  -36.1549
 3      0.4074    0.4099       26.7975   26.7897       -3.2781   -3.2763
 4     -3.2578   -3.2763       -0.0000    0.0000        0.4025    0.4099
 5      9.3797    9.3652       -0.4025   -0.4099        0.3658    0.3673
 6      3.2781    3.2763       -0.3658   -0.3673       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.1019   -1.1019       -1.2298   -1.2298
 2     -9.8289   -9.8289        0.0000    0.0000       -1.2298   -1.2298
 3     -9.8289   -9.8289       -1.1019   -1.1019        0.0000    0.0000
 4     -1.1018   -1.1019        9.8289    9.8289     -108.4648 -108.4648
 5      1.2298    1.2298       80.3692   80.3692       -9.8289   -9.8289
 6     28.0956   28.0956       -1.2298   -1.2298        1.1019    1.1019
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0755    0.0000       -0.5606   -1.4691        1.9655    1.6397
 2      1.1811    1.4691      -13.7727  -13.1052      144.4506  144.6197
 3     -1.7048   -1.6397     -106.4472 -107.1589       13.2790   13.1052
 4     13.4762   13.1052       -0.3261    0.0000       -1.7572   -1.6397
 5    -37.4219  -37.4608        1.9744    1.6397       -1.5098   -1.4691
 6    -13.0231  -13.1052        1.5390    1.4691       -0.4090    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2830    0.0000      -95.1596  -96.6748       -3.2187   -3.1158
 2     98.8644   96.6748        8.9476    8.7343       12.3043   11.8946
 3      4.3840    3.1158       30.9541   31.8532       -9.5508   -8.7343
 4     -8.1774   -8.7343       -3.5475    0.0000        2.3536    3.1158
 5    -44.9383  -43.7478       -3.9828   -3.1158      -96.6415  -96.6748
 6      8.4956    8.7343       97.0505   96.6748       -0.2981    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -12.8496  -12.8161       -1.9424   -1.7896      -18.8617  -19.5247
 2    -25.2357  -26.6557      -79.1840  -78.7065      -19.3933  -19.5247
 3    -24.9503  -26.6557       -2.4210   -1.7896      -20.0765  -20.1923
 4     77.6961   76.9169       12.9882   13.8396       25.9308   25.4009
 5     -0.0394   -0.6676       41.1111   40.9623      -13.4710  -13.8396
 6    -67.9116  -66.3632        1.3076    0.6676      -76.5202  -76.9169
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.6693                 1.3305                 0.8891
  Dep-P Fr= 1--      0.7425                 0.6831                 0.7457
  Dep-U Fr= 1--      0.8522                 0.8117                 0.8543
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0001
 Beta2  Fr= 1--      0.0951                 0.1800                 0.1266
 AlphaG Fr= 1--     -0.0010                 0.0071                -0.0014
 Gamma2 Fr= 1--     -0.1456                -0.2633                -0.3917
 Delta2 Fr= 1--     -0.2735                 0.1706                -0.2430
 Raman1 Fr= 1--       2.677                  5.322                  3.556
 ROA1   Fr= 1--     -22.728                -19.821                -45.374
 CID1   Fr= 1--      -8.489                 -3.724                -12.758
 Raman2 Fr= 1--       1.141                  2.160                  1.519
 ROA2   Fr= 1--      -1.305                 -7.685                 -7.456
 CID2   Fr= 1--      -1.144                 -3.558                 -4.908
 Raman3 Fr= 1--       2.282                  4.320                  3.038
 ROA3   Fr= 1--     -22.728                -19.821                -45.374
 CID3   Fr= 1--      -9.961                 -4.588                -14.933
 RC180  Fr= 1--       0.704                  0.623                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      2.9323                 1.9326                 2.7836
  Dep-P Fr= 1--      0.7456                 0.7498                 0.6970
  Dep-U Fr= 1--      0.8542                 0.8570                 0.8215
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0026
 Beta2  Fr= 1--      0.4175                 0.2760                 0.3811
 AlphaG Fr= 1--     -0.0010                 0.0003                 0.0011
 Gamma2 Fr= 1--      0.3525                 0.4292                -0.2923
 Delta2 Fr= 1--      0.3142                 0.1856                -0.0814
 Raman1 Fr= 1--      11.729                  7.730                 11.134
 ROA1   Fr= 1--      43.895                 47.146                -30.662
 CID1   Fr= 1--       3.742                  6.099                 -2.754
 Raman2 Fr= 1--       5.010                  3.312                  4.573
 ROA2   Fr= 1--       5.946                  8.816                 -6.363
 CID2   Fr= 1--       1.187                  2.662                 -1.391
 Raman3 Fr= 1--      10.020                  6.625                  9.147
 ROA3   Fr= 1--      43.895                 47.146                -30.662
 CID3   Fr= 1--       4.381                  7.116                 -3.352
 RC180  Fr= 1--       0.708                  0.714                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.6701                 0.3532                 0.3114
  Dep-P Fr= 1--      0.1141                 0.2363                 0.7422
  Dep-U Fr= 1--      0.2048                 0.3823                 0.8520
 Alpha2 Fr= 1--      0.0113                 0.0043                 0.0000
 Beta2  Fr= 1--      0.0229                 0.0225                 0.0442
 AlphaG Fr= 1--     -0.0044                -0.0099                -0.0003
 Gamma2 Fr= 1--     -0.3130                 0.4997                 0.3149
 Delta2 Fr= 1--     -0.1731                 0.3625                 0.1161
 Raman1 Fr= 1--       2.680                  1.413                  1.246
 ROA1   Fr= 1--     -35.587                 59.571                 33.946
 CID1   Fr= 1--     -13.278                 42.160                 27.254
 Raman2 Fr= 1--       0.274                  0.270                  0.531
 ROA2   Fr= 1--      -6.127                  9.093                  6.628
 CID2   Fr= 1--     -22.321                 33.672                 12.492
 Raman3 Fr= 1--       0.549                  0.540                  1.061
 ROA3   Fr= 1--     -35.587                 59.571                 33.946
 CID3   Fr= 1--     -64.827                110.293                 31.988
 RC180  Fr= 1--      -0.590                 -0.235                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.3463                 0.9021                 1.0138
  Dep-P Fr= 1--      0.7403                 0.7210                 0.1641
  Dep-U Fr= 1--      0.8508                 0.8379                 0.2819
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0151
 Beta2  Fr= 1--      0.0491                 0.1260                 0.0476
 AlphaG Fr= 1--     -0.0029                -0.0006                 0.0020
 Gamma2 Fr= 1--     -0.2737                 0.1595                 0.0108
 Delta2 Fr= 1--     -0.0449                 0.1655                -0.0404
 Raman1 Fr= 1--       1.385                  3.609                  4.055
 ROA1   Fr= 1--     -27.714                 20.608                 -0.260
 CID1   Fr= 1--     -20.009                  5.711                 -0.064
 Raman2 Fr= 1--       0.589                  1.512                  0.572
 ROA2   Fr= 1--      -6.211                  2.505                  0.582
 CID2   Fr= 1--     -10.541                  1.657                  1.018
 Raman3 Fr= 1--       1.178                  3.024                  1.143
 ROA3   Fr= 1--     -27.714                 20.608                 -0.260
 CID3   Fr= 1--     -23.519                  6.816                 -0.228
 RC180  Fr= 1--       0.702                  0.676                 -0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      0.6801                 1.7341                 1.6483
  Dep-P Fr= 1--      0.7424                 0.7337                 0.4431
  Dep-U Fr= 1--      0.8521                 0.8464                 0.6141
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0104
 Beta2  Fr= 1--      0.0966                 0.2446                 0.1687
 AlphaG Fr= 1--      0.0002                -0.0015                 0.0069
 Gamma2 Fr= 1--     -0.7328                -0.1468                 0.8918
 Delta2 Fr= 1--     -0.0050                -0.7713                 0.5205
 Raman1 Fr= 1--       2.720                  6.936                  6.593
 ROA1   Fr= 1--     -70.511                -38.775                102.271
 CID1   Fr= 1--     -25.920                 -5.590                 15.512
 Raman2 Fr= 1--       1.159                  2.935                  2.024
 ROA2   Fr= 1--     -17.547                  2.647                 17.239
 CID2   Fr= 1--     -15.139                  0.902                  8.516
 Raman3 Fr= 1--       2.318                  5.871                  4.049
 ROA3   Fr= 1--     -70.511                -38.775                102.271
 CID3   Fr= 1--     -30.417                 -6.604                 25.260
 RC180  Fr= 1--       0.704                  0.693                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      1.7447                 4.9988                 1.6293
  Dep-P Fr= 1--      0.3295                 0.0958                 0.1991
  Dep-U Fr= 1--      0.4957                 0.1749                 0.3321
 Alpha2 Fr= 1--      0.0164                 0.0884                 0.0222
 Beta2  Fr= 1--      0.1441                 0.1457                 0.0902
 AlphaG Fr= 1--      0.0130                 0.0081                 0.0258
 Gamma2 Fr= 1--     -0.0429                -0.3811                 1.1415
 Delta2 Fr= 1--     -0.1323                -0.2808                 0.2932
 Raman1 Fr= 1--       6.979                 19.995                  6.517
 ROA1   Fr= 1--      -8.352                -45.574                118.965
 CID1   Fr= 1--      -1.197                 -2.279                 18.254
 Raman2 Fr= 1--       1.730                  1.748                  1.082
 ROA2   Fr= 1--       0.028                 -6.901                 25.050
 CID2   Fr= 1--       0.016                 -3.947                 23.145
 Raman3 Fr= 1--       3.459                  3.497                  2.165
 ROA3   Fr= 1--      -8.352                -45.574                118.965
 CID3   Fr= 1--      -2.414                -13.033                 54.960
 RC180  Fr= 1--      -0.009                 -0.650                 -0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0407                 0.9156                 0.2688
  Dep-P Fr= 1--      0.4824                 0.2510                 0.6995
  Dep-U Fr= 1--      0.6508                 0.4013                 0.8232
 Alpha2 Fr= 1--      0.0002                 0.0108                 0.0002
 Beta2  Fr= 1--      0.0044                 0.0612                 0.0369
 AlphaG Fr= 1--     -0.0065                -0.0023                -0.0007
 Gamma2 Fr= 1--      0.0107                 0.0557                 0.2383
 Delta2 Fr= 1--     -0.0468                 0.0186                 0.0708
 Raman1 Fr= 1--       0.163                  3.663                  1.075
 ROA1   Fr= 1--      -0.472                  5.938                 25.144
 CID1   Fr= 1--      -2.898                  1.621                 23.388
 Raman2 Fr= 1--       0.053                  0.735                  0.443
 ROA2   Fr= 1--       0.631                  1.187                  5.154
 CID2   Fr= 1--      11.923                  1.615                 11.647
 Raman3 Fr= 1--       0.106                  1.470                  0.885
 ROA3   Fr= 1--      -0.472                  5.938                 25.144
 CID3   Fr= 1--      -4.452                  4.040                 28.411
 RC180  Fr= 1--       0.302                 -0.197                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.1537                 1.0060                 1.8012
  Dep-P Fr= 1--      0.3223                 0.3332                 0.5605
  Dep-U Fr= 1--      0.4875                 0.4999                 0.7184
 Alpha2 Fr= 1--      0.0111                 0.0093                 0.0065
 Beta2  Fr= 1--      0.0937                 0.0838                 0.2157
 AlphaG Fr= 1--     -0.0324                -0.0198                 0.0290
 Gamma2 Fr= 1--     -0.1008                 0.1350                -0.3227
 Delta2 Fr= 1--     -0.0434                 0.3204                -0.3769
 Raman1 Fr= 1--       4.615                  4.024                  7.205
 ROA1   Fr= 1--     -11.063                 23.213                -43.040
 CID1   Fr= 1--      -2.397                  5.769                 -5.974
 Raman2 Fr= 1--       1.125                  1.006                  2.588
 ROA2   Fr= 1--      -2.071                  0.677                 -4.729
 CID2   Fr= 1--      -1.841                  0.674                 -1.827
 Raman3 Fr= 1--       2.250                  2.011                  5.176
 ROA3   Fr= 1--     -11.063                 23.213                -43.040
 CID3   Fr= 1--      -4.918                 11.541                 -8.316
 RC180  Fr= 1--      -0.025                 -0.000                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.3956                 0.5750                 5.4697
  Dep-P Fr= 1--      0.5980                 0.2358                 0.0176
  Dep-U Fr= 1--      0.7484                 0.3816                 0.0345
 Alpha2 Fr= 1--      0.0152                 0.0071                 0.1167
 Beta2  Fr= 1--      0.6730                 0.0366                 0.0315
 AlphaG Fr= 1--     -0.0421                -0.0004                -0.0483
 Gamma2 Fr= 1--     -0.2693                -0.1746                -0.8202
 Delta2 Fr= 1--     -0.0815                 0.0768                -0.0066
 Raman1 Fr= 1--      21.582                  2.300                 21.879
 ROA1   Fr= 1--     -28.459                -14.302                -78.948
 CID1   Fr= 1--      -1.319                 -6.219                 -3.608
 Raman2 Fr= 1--       8.077                  0.439                  0.378
 ROA2   Fr= 1--      -5.811                 -4.804                -19.632
 CID2   Fr= 1--      -0.719                -10.949                -51.949
 Raman3 Fr= 1--      16.153                  0.878                  0.756
 ROA3   Fr= 1--     -28.459                -14.302                -78.948
 CID3   Fr= 1--      -1.762                -16.298               -104.456
 RC180  Fr= 1--       0.497                 -0.237                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     32.0038                 4.3465                 4.6945
  Dep-P Fr= 1--      0.0190                 0.1227                 0.2399
  Dep-U Fr= 1--      0.0373                 0.2185                 0.3870
 Alpha2 Fr= 1--      0.6802                 0.0720                 0.0572
 Beta2  Fr= 1--      0.1991                 0.1583                 0.3028
 AlphaG Fr= 1--      0.0275                -0.0008                 0.0701
 Gamma2 Fr= 1--     -1.3653                -0.5325                 1.3798
 Delta2 Fr= 1--     -0.0179                 0.2208                 0.0418
 Raman1 Fr= 1--     128.015                 17.386                 18.778
 ROA1   Fr= 1--    -131.638                -44.056                133.801
 CID1   Fr= 1--      -1.028                 -2.534                  7.125
 Raman2 Fr= 1--       2.389                  1.900                  3.634
 ROA2   Fr= 1--     -32.623                -14.547                 32.781
 CID2   Fr= 1--     -13.656                 -7.657                  9.021
 Raman3 Fr= 1--       4.778                  3.800                  7.268
 ROA3   Fr= 1--    -131.638                -44.056                133.801
 CID3   Fr= 1--     -27.552                -11.595                 18.411
 RC180  Fr= 1--      -0.925                 -0.563                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      0.9960                12.0450                 3.3992
  Dep-P Fr= 1--      0.5632                 0.1473                 0.0331
  Dep-U Fr= 1--      0.7206                 0.2568                 0.0641
 Alpha2 Fr= 1--      0.0035                 0.1875                 0.0699
 Beta2  Fr= 1--      0.1196                 0.5156                 0.0363
 AlphaG Fr= 1--     -0.0124                -0.1136                 0.0309
 Gamma2 Fr= 1--      0.1212                 1.2851                -0.0977
 Delta2 Fr= 1--      0.0273                 0.1026                 0.1343
 Raman1 Fr= 1--       3.984                 48.180                 13.597
 ROA1   Fr= 1--      12.514                126.658                 -5.085
 CID1   Fr= 1--       3.141                  2.629                 -0.374
 Raman2 Fr= 1--       1.435                  6.187                  0.436
 ROA2   Fr= 1--       2.691                 30.022                 -3.419
 CID2   Fr= 1--       1.875                  4.852                 -7.849
 Raman3 Fr= 1--       2.871                 12.374                  0.871
 ROA3   Fr= 1--      12.514                126.658                 -5.085
 CID3   Fr= 1--       4.359                 10.235                 -5.836
 RC180  Fr= 1--       0.441                 -0.486                 -0.872
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      0.5172                 0.2664                 6.0701
  Dep-P Fr= 1--      0.7225                 0.7457                 0.7488
  Dep-U Fr= 1--      0.8389                 0.8543                 0.8564
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0723                 0.0379                 0.8664
 AlphaG Fr= 1--     -0.0008                -0.0005                -0.0022
 Gamma2 Fr= 1--      0.2088                -0.0563                -0.3589
 Delta2 Fr= 1--      0.1745                -0.0277                -1.1668
 Raman1 Fr= 1--       2.069                  1.066                 24.280
 ROA1   Fr= 1--      25.624                 -6.295                -71.796
 CID1   Fr= 1--      12.387                 -5.908                 -2.957
 Raman2 Fr= 1--       0.868                  0.455                 10.396
 ROA2   Fr= 1--       3.614                 -1.130                  0.720
 CID2   Fr= 1--       4.165                 -2.483                  0.069
 Raman3 Fr= 1--       1.735                  0.910                 20.793
 ROA3   Fr= 1--      25.624                 -6.295                -71.796
 CID3   Fr= 1--      14.766                 -6.915                 -3.453
 RC180  Fr= 1--       0.678                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.9138                 3.1407                 1.2008
  Dep-P Fr= 1--      0.7459                 0.7481                 0.7275
  Dep-U Fr= 1--      0.8545                 0.8559                 0.8423
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0005
 Beta2  Fr= 1--      0.4150                 0.4480                 0.1686
 AlphaG Fr= 1--      0.0054                -0.0005                 0.0004
 Gamma2 Fr= 1--     -2.2838                -0.1168                 2.0240
 Delta2 Fr= 1--      0.6297                -0.0226                 0.2912
 Raman1 Fr= 1--      11.655                 12.563                  4.803
 ROA1   Fr= 1--    -199.094                -11.938                203.617
 CID1   Fr= 1--     -17.082                 -0.950                 42.391
 Raman2 Fr= 1--       4.979                  5.376                  2.023
 ROA2   Fr= 1--     -59.848                 -2.623                 46.245
 CID2   Fr= 1--     -12.019                 -0.488                 22.861
 Raman3 Fr= 1--       9.959                 10.753                  4.046
 ROA3   Fr= 1--    -199.094                -11.938                203.617
 CID3   Fr= 1--     -19.992                 -1.110                 50.328
 RC180  Fr= 1--       0.709                  0.712                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      6.9826                 0.3832                 3.9549
  Dep-P Fr= 1--      0.3801                 0.2097                 0.1827
  Dep-U Fr= 1--      0.5508                 0.3467                 0.3090
 Alpha2 Fr= 1--      0.0555                 0.0051                 0.0562
 Beta2  Fr= 1--      0.6410                 0.0221                 0.2037
 AlphaG Fr= 1--      0.1052                 0.0044                 0.0512
 Gamma2 Fr= 1--     -0.0950                -0.0723                -0.3095
 Delta2 Fr= 1--     -0.8201                -0.0923                -0.9413
 Raman1 Fr= 1--      27.930                  1.533                 15.820
 ROA1   Fr= 1--     -35.367                 -9.891                -59.838
 CID1   Fr= 1--      -1.266                 -6.452                 -3.782
 Raman2 Fr= 1--       7.692                  0.266                  2.444
 ROA2   Fr= 1--       4.279                 -0.996                  0.102
 CID2   Fr= 1--       0.556                 -3.746                  0.042
 Raman3 Fr= 1--      15.385                  0.532                  4.888
 ROA3   Fr= 1--     -35.367                 -9.891                -59.838
 CID3   Fr= 1--      -2.299                -18.609                -12.243
 RC180  Fr= 1--       0.102                 -0.307                 -0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      4.7924                 4.7237                 4.5005
  Dep-P Fr= 1--      0.6156                 0.1749                 0.1945
  Dep-U Fr= 1--      0.7621                 0.2977                 0.3257
 Alpha2 Fr= 1--      0.0118                 0.0685                 0.0620
 Beta2  Fr= 1--      0.6087                 0.2344                 0.2443
 AlphaG Fr= 1--     -0.0462                -0.0812                 0.0024
 Gamma2 Fr= 1--      0.7502                -1.9856                 0.1553
 Delta2 Fr= 1--      1.1689                -0.1507                 0.1586
 Raman1 Fr= 1--      19.170                 18.895                 18.002
 ROA1   Fr= 1--     109.424               -195.440                 19.986
 CID1   Fr= 1--       5.708                -10.344                  1.110
 Raman2 Fr= 1--       7.304                  2.813                  2.931
 ROA2   Fr= 1--       8.654                -46.448                  2.458
 CID2   Fr= 1--       1.185                -16.514                  0.839
 Raman3 Fr= 1--      14.609                  5.625                  5.862
 ROA3   Fr= 1--     109.424               -195.440                 19.986
 CID3   Fr= 1--       7.490                -34.743                  3.409
 RC180  Fr= 1--       0.524                 -0.405                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      2.2164                 5.7096                 7.6314
  Dep-P Fr= 1--      0.2014                 0.2356                 0.3064
  Dep-U Fr= 1--      0.3352                 0.3814                 0.4691
 Alpha2 Fr= 1--      0.0300                 0.0704                 0.0768
 Beta2  Fr= 1--      0.1238                 0.3630                 0.5966
 AlphaG Fr= 1--     -0.0156                -0.0650                 0.0235
 Gamma2 Fr= 1--     -1.8901                 0.7192                 0.2222
 Delta2 Fr= 1--     -0.7745                 0.4305                -0.5753
 Raman1 Fr= 1--       8.866                 22.838                 30.526
 ROA1   Fr= 1--    -206.235                 82.816                  2.923
 CID1   Fr= 1--     -23.262                  3.626                  0.096
 Raman2 Fr= 1--       1.486                  4.355                  7.159
 ROA2   Fr= 1--     -39.166                 13.816                  9.935
 CID2   Fr= 1--     -26.358                  3.172                  1.388
 Raman3 Fr= 1--       2.972                  8.711                 14.319
 ROA3   Fr= 1--    -206.235                 82.816                  2.923
 CID3   Fr= 1--     -69.394                  9.507                  0.204
 RC180  Fr= 1--      -0.330                 -0.237                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     39.4630                30.1500                31.2360
  Dep-P Fr= 1--      0.0927                 0.1976                 0.1645
  Dep-U Fr= 1--      0.1696                 0.3301                 0.2825
 Alpha2 Fr= 1--      0.7034                 0.4120                 0.4654
 Beta2  Fr= 1--      1.1158                 1.6585                 1.4706
 AlphaG Fr= 1--      0.0962                 0.0707                -0.1049
 Gamma2 Fr= 1--     -5.2920                -0.5601                 0.1879
 Delta2 Fr= 1--     -0.2554                 0.4934                 0.1524
 Raman1 Fr= 1--     157.852                120.600                124.944
 ROA1   Fr= 1--    -516.209                -37.979                 22.920
 CID1   Fr= 1--      -3.270                 -0.315                  0.183
 Raman2 Fr= 1--      13.390                 19.903                 17.647
 ROA2   Fr= 1--    -124.966                -17.390                  3.291
 CID2   Fr= 1--      -9.333                 -0.874                  0.186
 Raman3 Fr= 1--      26.779                 39.805                 35.294
 ROA3   Fr= 1--    -516.209                -37.979                 22.920
 CID3   Fr= 1--     -19.277                 -0.954                  0.649
 RC180  Fr= 1--      -0.661                 -0.340                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      7.0855                 4.4897                26.5499
  Dep-P Fr= 1--      0.7426                 0.2140                 0.2772
  Dep-U Fr= 1--      0.8523                 0.3525                 0.4341
 Alpha2 Fr= 1--      0.0009                 0.0587                 0.2912
 Beta2  Fr= 1--      1.0065                 0.2638                 1.9210
 AlphaG Fr= 1--      0.0141                 0.0327                -0.0895
 Gamma2 Fr= 1--      0.7816                 1.4473                -0.2864
 Delta2 Fr= 1--      0.0320                -0.4282                 0.0597
 Raman1 Fr= 1--      28.342                 17.959                106.200
 ROA1   Fr= 1--      76.060                125.242                -25.586
 CID1   Fr= 1--       2.684                  6.974                 -0.241
 Raman2 Fr= 1--      12.078                  3.165                 23.052
 ROA2   Fr= 1--      18.504                 38.161                 -7.351
 CID2   Fr= 1--       1.532                 12.056                 -0.319
 Raman3 Fr= 1--      24.155                  6.331                 46.105
 ROA3   Fr= 1--      76.060                125.242                -25.586
 CID3   Fr= 1--       3.149                 19.784                 -0.555
 RC180  Fr= 1--       0.705                 -0.295                 -0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--      7.7612                 2.7046                 1.4924
  Dep-P Fr= 1--      0.6345                 0.6532                 0.6579
  Dep-U Fr= 1--      0.7764                 0.7902                 0.7937
 Alpha2 Fr= 1--      0.0162                 0.0047                 0.0025
 Beta2  Fr= 1--      1.0043                 0.3562                 0.1974
 AlphaG Fr= 1--      0.0780                 0.0130                -0.0022
 Gamma2 Fr= 1--     -0.7678                 3.9900                -0.5695
 Delta2 Fr= 1--     -0.0857                 2.7327                -0.3897
 Raman1 Fr= 1--      31.045                 10.818                  5.970
 ROA1   Fr= 1--     -76.452                470.487                -67.147
 CID1   Fr= 1--      -2.463                 43.490                -11.248
 Raman2 Fr= 1--      12.051                  4.275                  2.369
 ROA2   Fr= 1--     -17.743                 73.899                -10.551
 CID2   Fr= 1--      -1.472                 17.288                 -4.454
 Raman3 Fr= 1--      24.103                  8.549                  4.738
 ROA3   Fr= 1--     -76.452                470.487                -67.147
 CID3   Fr= 1--      -3.172                 55.034                -14.172
 RC180  Fr= 1--       0.553                  0.580                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      0.9819                 2.0048                10.9821
  Dep-P Fr= 1--      0.4956                 0.5495                 0.3968
  Dep-U Fr= 1--      0.6628                 0.7093                 0.5682
 Alpha2 Fr= 1--      0.0049                 0.0077                 0.0823
 Beta2  Fr= 1--      0.1085                 0.2370                 1.0400
 AlphaG Fr= 1--      0.0235                -0.0158                -0.0114
 Gamma2 Fr= 1--     -0.2666                 1.4495                 0.1051
 Delta2 Fr= 1--     -0.2496                 0.9410                 0.1632
 Raman1 Fr= 1--       3.928                  8.019                 43.928
 ROA1   Fr= 1--     -33.581                169.265                 15.311
 CID1   Fr= 1--      -8.550                 21.108                  0.349
 Raman2 Fr= 1--       1.302                  2.844                 12.480
 ROA2   Fr= 1--      -4.402                 27.260                  1.217
 CID2   Fr= 1--      -3.382                  9.586                  0.098
 Raman3 Fr= 1--       2.603                  5.688                 24.960
 ROA3   Fr= 1--     -33.581                169.265                 15.311
 CID3   Fr= 1--     -12.900                 29.760                  0.613
 RC180  Fr= 1--       0.326                  0.419                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      0.0417                 1.1298                 2.9462
  Dep-P Fr= 1--      0.7440                 0.5989                 0.5470
  Dep-U Fr= 1--      0.8532                 0.7491                 0.7072
 Alpha2 Fr= 1--      0.0000                 0.0032                 0.0115
 Beta2  Fr= 1--      0.0059                 0.1411                 0.3473
 AlphaG Fr= 1--      0.0000                -0.0061                -0.0017
 Gamma2 Fr= 1--      0.0324                -0.0359                 0.0992
 Delta2 Fr= 1--      0.0202                 0.0600                 0.0613
 Raman1 Fr= 1--       0.167                  4.519                 11.785
 ROA1   Fr= 1--       3.759                 -1.524                 11.482
 CID1   Fr= 1--      22.557                 -0.337                  0.974
 Raman2 Fr= 1--       0.071                  1.693                  4.167
 ROA2   Fr= 1--       0.617                 -1.341                  1.889
 CID2   Fr= 1--       8.674                 -0.792                  0.453
 Raman3 Fr= 1--       0.142                  3.386                  8.334
 ROA3   Fr= 1--       3.759                 -1.524                 11.482
 CID3   Fr= 1--      26.438                 -0.450                  1.378
 RC180  Fr= 1--       0.706                  0.498                  0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.3762                10.4208                15.1874
  Dep-P Fr= 1--      0.1961                 0.7500                 0.7307
  Dep-U Fr= 1--      0.3279                 0.8571                 0.8444
 Alpha2 Fr= 1--      0.0052                 0.0000                 0.0050
 Beta2  Fr= 1--      0.0206                 1.4887                 2.1374
 AlphaG Fr= 1--      0.0364                -0.0006                -0.0011
 Gamma2 Fr= 1--     -0.2876                 0.1696                -0.3940
 Delta2 Fr= 1--     -0.3893                -0.1368                 0.1685
 Raman1 Fr= 1--       1.505                 41.683                 60.750
 ROA1   Fr= 1--     -40.072                 11.899                -32.435
 CID1   Fr= 1--     -26.627                  0.285                 -0.534
 Raman2 Fr= 1--       0.247                 17.864                 25.649
 ROA2   Fr= 1--      -3.789                  5.164                -10.805
 CID2   Fr= 1--     -15.356                  0.289                 -0.421
 Raman3 Fr= 1--       0.493                 35.728                 51.297
 ROA3   Fr= 1--     -40.072                 11.899                -32.435
 CID3   Fr= 1--     -81.206                  0.333                 -0.632
 RC180  Fr= 1--      -0.344                  0.714                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      7.1481                 0.5147                 5.9084
  Dep-P Fr= 1--      0.6407                 0.7460                 0.6591
  Dep-U Fr= 1--      0.7810                 0.8545                 0.7945
 Alpha2 Fr= 1--      0.0141                 0.0000                 0.0096
 Beta2  Fr= 1--      0.9304                 0.0733                 0.7824
 AlphaG Fr= 1--      0.0394                 0.0020                 0.0769
 Gamma2 Fr= 1--     -0.5051                 0.2151                 1.8662
 Delta2 Fr= 1--     -1.4478                 0.1258                 1.6051
 Raman1 Fr= 1--      28.592                  2.059                 23.634
 ROA1   Fr= 1--     -94.819                 24.676                230.514
 CID1   Fr= 1--      -3.316                 11.987                  9.754
 Raman2 Fr= 1--      11.165                  0.880                  9.389
 ROA2   Fr= 1--      -0.540                  4.156                 31.947
 CID2   Fr= 1--      -0.048                  4.725                  3.403
 Raman3 Fr= 1--      22.330                  1.759                 18.778
 ROA3   Fr= 1--     -94.819                 24.676                230.514
 CID3   Fr= 1--      -4.246                 14.028                 12.276
 RC180  Fr= 1--       0.562                  0.709                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      1.5775                 4.2635                 0.4694
  Dep-P Fr= 1--      0.3699                 0.6615                 0.7495
  Dep-U Fr= 1--      0.5400                 0.7962                 0.8568
 Alpha2 Fr= 1--      0.0130                 0.0067                 0.0000
 Beta2  Fr= 1--      0.1420                 0.5658                 0.0670
 AlphaG Fr= 1--      0.0037                -0.0016                -0.0002
 Gamma2 Fr= 1--      0.1569                -0.1175                 0.1370
 Delta2 Fr= 1--      0.0866                 0.0399                 0.4116
 Raman1 Fr= 1--       6.310                 17.054                  1.878
 ROA1   Fr= 1--      17.829                -10.004                 26.323
 CID1   Fr= 1--       2.826                 -0.587                 14.018
 Raman2 Fr= 1--       1.704                  6.790                  0.804
 ROA2   Fr= 1--       3.072                 -3.140                 -0.005
 CID2   Fr= 1--       1.803                 -0.462                 -0.006
 Raman3 Fr= 1--       3.407                 13.579                  1.609
 ROA3   Fr= 1--      17.829                -10.004                 26.323
 CID3   Fr= 1--       5.233                 -0.737                 16.361
 RC180  Fr= 1--       0.080                  0.592                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      1.9224               113.5700                14.8262
  Dep-P Fr= 1--      0.6718                 0.4888                 0.2041
  Dep-U Fr= 1--      0.8037                 0.6566                 0.3390
 Alpha2 Fr= 1--      0.0027                 0.5904                 0.1992
 Beta2  Fr= 1--      0.2575                12.4291                 0.8377
 AlphaG Fr= 1--     -0.0537                 0.0839                -0.0856
 Gamma2 Fr= 1--      0.0404                -0.0778                 0.9244
 Delta2 Fr= 1--     -0.0387                 0.3035                -2.4805
 Raman1 Fr= 1--       7.690                454.280                 59.305
 ROA1   Fr= 1--       2.643                  2.246                  9.369
 CID1   Fr= 1--       0.344                  0.005                  0.158
 Raman2 Fr= 1--       3.090                149.149                 10.052
 ROA2   Fr= 1--       1.280                 -4.294                 42.031
 CID2   Fr= 1--       0.414                 -0.029                  4.181
 Raman3 Fr= 1--       6.180                298.299                 20.104
 ROA3   Fr= 1--       2.643                  2.246                  9.369
 CID3   Fr= 1--       0.428                  0.008                  0.466
 RC180  Fr= 1--       0.607                  0.313                 -0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    149.1098                14.1462                57.7157
  Dep-P Fr= 1--      0.4686                 0.7294                 0.5814
  Dep-U Fr= 1--      0.6381                 0.8436                 0.7353
 Alpha2 Fr= 1--      0.8467                 0.0050                 0.1823
 Beta2  Fr= 1--     15.8584                 1.9888                 7.0729
 AlphaG Fr= 1--      0.0095                 0.0029                -0.0808
 Gamma2 Fr= 1--      0.5481                 0.6443                 0.2529
 Delta2 Fr= 1--     -0.9347                -0.6598                 0.8439
 Raman1 Fr= 1--     596.439                 56.585                230.863
 ROA1   Fr= 1--      22.711                 40.737                 51.286
 CID1   Fr= 1--       0.038                  0.720                  0.222
 Raman2 Fr= 1--     190.301                 23.866                 84.875
 ROA2   Fr= 1--      20.633                 20.741                 -0.681
 CID2   Fr= 1--       0.108                  0.869                 -0.008
 Raman3 Fr= 1--     380.601                 47.732                169.749
 ROA3   Fr= 1--      22.711                 40.737                 51.286
 CID3   Fr= 1--       0.060                  0.853                  0.302
 RC180  Fr= 1--       0.276                  0.687                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    552.1211               238.6978                59.6534
  Dep-P Fr= 1--      0.0102                 0.0616                 0.7495
  Dep-U Fr= 1--      0.0202                 0.1161                 0.8568
 Alpha2 Fr= 1--     11.9803                 4.5858                 0.0005
 Beta2  Fr= 1--      1.8584                 4.6194                 8.5185
 AlphaG Fr= 1--      0.4304                -0.7274                -0.0334
 Gamma2 Fr= 1--      0.8703                 0.3287                 0.6212
 Delta2 Fr= 1--     -0.3575                 2.7598                 1.0003
 Raman1 Fr= 1--    2208.485                954.791                238.614
 ROA1   Fr= 1--      72.106                119.868                 91.641
 CID1   Fr= 1--       0.033                  0.126                  0.384
 Raman2 Fr= 1--      22.301                 55.432                102.222
 ROA2   Fr= 1--      23.746                -14.189                  6.905
 CID2   Fr= 1--       1.065                 -0.256                  0.068
 Raman3 Fr= 1--      44.602                110.865                204.444
 ROA3   Fr= 1--      72.106                119.868                 91.641
 CID3   Fr= 1--       1.617                  1.081                  0.448
 RC180  Fr= 1--      -0.960                 -0.768                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     61.8920                41.9663               146.0828
  Dep-P Fr= 1--      0.2312                 0.7478                 0.6928
  Dep-U Fr= 1--      0.3756                 0.8557                 0.8185
 Alpha2 Fr= 1--      0.7727                 0.0016                 0.1462
 Beta2  Fr= 1--      3.8745                 5.9849                19.9292
 AlphaG Fr= 1--      0.3104                -0.0934                -0.0056
 Gamma2 Fr= 1--     -4.7231                 3.2390                 0.0917
 Delta2 Fr= 1--     -4.4868                 2.3544                -1.8793
 Raman1 Fr= 1--     247.568                167.865                584.331
 ROA1   Fr= 1--    -596.993                386.281                -51.337
 CID1   Fr= 1--      -2.411                  2.301                 -0.088
 Raman2 Fr= 1--      46.494                 71.819                239.150
 ROA2   Fr= 1--     -77.460                 58.900                 17.235
 CID2   Fr= 1--      -1.666                  0.820                  0.072
 Raman3 Fr= 1--      92.988                143.639                478.300
 ROA3   Fr= 1--    -596.993                386.281                -51.337
 CID3   Fr= 1--      -6.420                  2.689                 -0.107
 RC180  Fr= 1--      -0.249                  0.711                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     12.3214                68.1093               110.5869
  Dep-P Fr= 1--      0.7493                 0.4818                 0.7112
  Dep-U Fr= 1--      0.8567                 0.6503                 0.8312
 Alpha2 Fr= 1--      0.0001                 0.3652                 0.0743
 Beta2  Fr= 1--      1.7593                 7.3823                15.3203
 AlphaG Fr= 1--      0.0147                -0.0504                 0.1209
 Gamma2 Fr= 1--     -1.4430                -0.6786                -1.3758
 Delta2 Fr= 1--     -0.2330                 0.7644                -3.5821
 Raman1 Fr= 1--      49.286                272.437                442.348
 ROA1   Fr= 1--    -145.982                -40.683               -246.707
 CID1   Fr= 1--      -2.962                 -0.149                 -0.558
 Raman2 Fr= 1--      21.112                 88.587                183.844
 ROA2   Fr= 1--     -32.767                -22.401                 -4.364
 CID2   Fr= 1--      -1.552                 -0.253                 -0.024
 Raman3 Fr= 1--      42.223                177.175                367.688
 ROA3   Fr= 1--    -145.982                -40.683               -246.707
 CID3   Fr= 1--      -3.457                 -0.230                 -0.671
 RC180  Fr= 1--       0.713                  0.301                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     29.3505                49.0030                62.9613
  Dep-P Fr= 1--      0.6388                 0.7474                 0.5212
  Dep-U Fr= 1--      0.7796                 0.8554                 0.6852
 Alpha2 Fr= 1--      0.0590                 0.0022                 0.2806
 Beta2  Fr= 1--      3.8135                 6.9864                 7.1907
 AlphaG Fr= 1--      0.0065                -0.0231                -0.2780
 Gamma2 Fr= 1--     -1.6640                 1.0564                -2.4437
 Delta2 Fr= 1--      0.6425                 1.1877                 0.1819
 Raman1 Fr= 1--     117.402                196.012                251.845
 ROA1   Fr= 1--    -139.180                139.419               -228.776
 CID1   Fr= 1--      -1.185                  0.711                 -0.908
 Raman2 Fr= 1--      45.762                 83.837                 86.288
 ROA2   Fr= 1--     -45.076                 15.852                -60.104
 CID2   Fr= 1--      -0.985                  0.189                 -0.697
 Raman3 Fr= 1--      91.523                167.674                172.576
 ROA3   Fr= 1--    -139.180                139.419               -228.776
 CID3   Fr= 1--      -1.521                  0.831                 -1.326
 RC180  Fr= 1--       0.559                  0.711                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    124.3754               116.7801               110.6065
  Dep-P Fr= 1--      0.1377                 0.1432                 0.2348
  Dep-U Fr= 1--      0.2421                 0.2505                 0.3803
 Alpha2 Fr= 1--      1.9834                 1.8368                 1.3674
 Beta2  Fr= 1--      5.0176                 4.8752                 7.0104
 AlphaG Fr= 1--      0.3254                -0.1284                 0.0087
 Gamma2 Fr= 1--      3.0013                 1.0048                 3.4681
 Delta2 Fr= 1--     -0.4556                 0.4623                -0.5828
 Raman1 Fr= 1--     497.502                467.120                442.426
 ROA1   Fr= 1--     273.542                111.255                314.287
 CID1   Fr= 1--       0.550                  0.238                  0.710
 Raman2 Fr= 1--      60.211                 58.502                 84.125
 ROA2   Fr= 1--      75.675                 20.417                 87.897
 CID2   Fr= 1--       1.257                  0.349                  1.045
 Raman3 Fr= 1--     120.423                117.004                168.251
 ROA3   Fr= 1--     273.542                111.255                314.287
 CID3   Fr= 1--       2.272                  0.951                  1.868
 RC180  Fr= 1--      -0.516                 -0.499                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211166D+03 -0.819861D+00 -0.734568D+00
      2  -0.819861D+00  0.138856D+03 -0.655259D+01
      3  -0.734568D+00 -0.655259D+01  0.157587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.337291D+01 -0.805541D+01  0.223977D+02
      2   0.111713D+02 -0.932022D+01  0.481288D+02
      3  -0.119073D+03 -0.393944D+02  0.125537D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.171699D+03  0.563040D+02 -0.283049D+01
      2  -0.922578D+02 -0.339015D+02  0.173618D+02
      3  -0.794417D+02 -0.224025D+02 -0.145313D+02
      4  -0.267107D+02  0.769257D+02 -0.266665D+02
      5  -0.570562D+01 -0.292600D+02  0.103581D+03
      6  -0.113725D+02  0.138191D+02 -0.285003D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.848820D+01  0.551080D+00  0.869355D+00 -0.171610D+01  0.150199D+01
      2   0.551080D+00  0.205899D+01 -0.666559D+00  0.150199D+01 -0.342598D+01
      3   0.869355D+00 -0.666559D+00  0.283083D+01  0.175293D+01  0.210700D+01
                 6             7             8             9            10 
      1   0.175293D+01  0.120050D+02  0.152901D+01 -0.860025D+00  0.286952D+02
      2   0.210700D+01  0.152901D+01  0.102928D+00  0.143119D+01  0.167065D+01
      3   0.967255D+00 -0.860025D+00  0.143119D+01  0.840032D+00 -0.125627D+01
                11            12            13            14            15 
      1   0.167065D+01 -0.125627D+01 -0.322589D+00  0.419152D+01  0.113459D+01
      2   0.208362D+01 -0.635033D+00  0.419152D+01 -0.110556D+01 -0.764882D-01
      3  -0.635033D+00  0.294998D+01  0.113459D+01 -0.764882D-01 -0.796052D+00
                16            17            18            19            20 
      1  -0.282213D+01  0.890085D+00  0.119654D+01  0.113896D+02 -0.523298D+00
      2   0.890085D+00  0.298139D+00 -0.108284D+01 -0.523298D+00 -0.257471D+01
      3   0.119654D+01 -0.108284D+01 -0.517835D+00 -0.115278D+01  0.136986D+01
                21            22            23            24            25 
      1  -0.115278D+01 -0.402823D+01 -0.152923D+01 -0.210051D+00  0.100794D+02
      2   0.136986D+01 -0.152923D+01 -0.272477D+01  0.235451D+01 -0.152659D+01
      3  -0.163801D+01 -0.210051D+00  0.235451D+01  0.190387D+01  0.252069D+00
                26            27            28            29            30 
      1  -0.152659D+01  0.252069D+00 -0.257263D+02  0.172484D+00  0.797724D+00
      2   0.138397D+01  0.137897D+01  0.172484D+00 -0.181810D+01  0.254060D+00
      3   0.137897D+01  0.162273D+01  0.797724D+00  0.254060D+00 -0.280316D+01
                31            32            33            34            35 
      1   0.253076D+01 -0.452609D+01 -0.145220D+01  0.285262D+01 -0.141024D+01
      2  -0.452609D+01  0.693911D+00  0.471459D+00 -0.141024D+01  0.457341D-01
      3  -0.145220D+01  0.471459D+00  0.668505D-01 -0.625566D+00 -0.969756D+00
                36            37            38            39            40 
      1  -0.625566D+00  0.807696D+01 -0.693109D+00 -0.615441D+00  0.334442D+01
      2  -0.969756D+00 -0.693109D+00 -0.110687D+01 -0.626834D+00 -0.158954D+01
      3   0.414769D+00 -0.615441D+00 -0.626834D+00 -0.298247D+01 -0.110096D+01
                41            42            43            44            45 
      1  -0.158954D+01 -0.110096D+01 -0.120482D+02  0.111381D+00  0.626996D+00
      2   0.232847D+01 -0.217697D+01  0.111381D+00 -0.110178D+01 -0.867528D+00
      3  -0.217697D+01 -0.119564D+01  0.626996D+00 -0.867528D+00 -0.132185D+01
                46            47            48            49            50 
      1  -0.103166D+02  0.570921D+00  0.815849D+00  0.520763D+01  0.207103D+01
      2   0.570921D+00  0.119621D+01  0.107979D+00  0.207103D+01  0.177021D+01
      3   0.815849D+00  0.107979D+00  0.155185D+01 -0.366744D+00 -0.280830D+01
                51            52            53            54            55 
      1  -0.366744D+00 -0.929396D+01  0.352655D+00 -0.452606D+00 -0.132105D+02
      2  -0.280830D+01  0.352655D+00 -0.156600D+01 -0.993187D+00 -0.289860D+01
      3  -0.212180D+01 -0.452606D+00 -0.993187D+00 -0.158414D+01 -0.524293D+00
                56            57            58            59            60 
      1  -0.289860D+01 -0.524293D+00 -0.672482D+01 -0.729967D+01 -0.367468D+00
      2  -0.416429D+01 -0.751311D-01 -0.729967D+01  0.661738D-01 -0.207014D+01
      3  -0.751311D-01 -0.168052D+01 -0.367468D+00 -0.207014D+01  0.191704D+01
                61            62            63            64            65 
      1  -0.161425D+01 -0.486789D+00 -0.335972D+01 -0.517850D+01  0.468818D+01
      2  -0.486789D+00 -0.265631D+01  0.316174D+01  0.468818D+01  0.338318D+01
      3  -0.335972D+01  0.316174D+01  0.465331D+01  0.245979D+01 -0.250370D+00
                66            67            68            69            70 
      1   0.245979D+01  0.128336D+02  0.535180D+01 -0.615315D-01  0.508994D+01
      2  -0.250370D+00  0.535180D+01  0.192389D+01  0.333772D+01  0.599285D+00
      3   0.975926D+00 -0.615315D-01  0.333772D+01 -0.294626D+01  0.241107D+00
                71            72            73            74            75 
      1   0.599285D+00  0.241107D+00  0.318198D+01 -0.356240D+01 -0.258569D+01
      2   0.338606D+01 -0.270934D+01 -0.356240D+01 -0.356696D+01 -0.186122D+00
      3  -0.270934D+01 -0.436044D+01 -0.258569D+01 -0.186122D+00 -0.164875D+01
                76            77            78            79            80 
      1  -0.509477D+01 -0.467996D+01 -0.360093D-01 -0.296155D+01  0.239300D+00
      2  -0.467996D+01 -0.140630D+01 -0.440751D+01  0.239300D+00 -0.318963D+01
      3  -0.360093D-01 -0.440751D+01  0.301104D+01 -0.484634D+00  0.267221D+01
                81            82            83            84            85 
      1  -0.484634D+00  0.367227D+01 -0.403315D+01 -0.132836D+01 -0.549127D+01
      2   0.267221D+01 -0.403315D+01 -0.400851D+01  0.357477D+00 -0.394422D+01
      3   0.243858D+01 -0.132836D+01  0.357477D+00 -0.104323D+01 -0.192489D+00
                86            87            88            89            90 
      1  -0.394422D+01 -0.192489D+00 -0.192443D+01 -0.835151D+00 -0.819765D+00
      2  -0.277096D+01 -0.245383D+01 -0.835151D+00 -0.327224D+01  0.212222D+01
      3  -0.245383D+01  0.319992D+01 -0.819765D+00  0.212222D+01  0.617455D+01
                91            92            93            94            95 
      1   0.477065D+01  0.193793D+01  0.184505D+01 -0.202538D+01  0.537868D+01
      2   0.193793D+01  0.187401D+01  0.412823D+00  0.537868D+01 -0.369902D+01
      3   0.184505D+01  0.412823D+00  0.164266D+01  0.135532D+01  0.480182D+00
                96            97            98            99           100 
      1   0.135532D+01  0.321975D+01  0.185425D+01  0.251704D+01 -0.318063D-01
      2   0.480182D+00  0.185425D+01  0.600582D+00  0.268265D+01 -0.768863D+00
      3   0.222107D+01  0.251704D+01  0.268265D+01 -0.331828D+01 -0.136506D+01
               101           102           103           104           105 
      1  -0.768863D+00 -0.136506D+01  0.540320D+00 -0.775021D+00  0.112559D+01
      2  -0.246836D+00  0.694158D+00 -0.775021D+00  0.285954D+01 -0.173145D+01
      3   0.694158D+00  0.316772D+00  0.112559D+01 -0.173145D+01 -0.245530D+01
               106           107           108           109           110 
      1  -0.325066D+01  0.124528D+01  0.100772D+01 -0.221951D+01  0.177932D+01
      2   0.124528D+01 -0.279711D+01 -0.325292D+01  0.177932D+01 -0.786993D+00
      3   0.100772D+01 -0.325292D+01 -0.214035D+01  0.313385D+01 -0.755150D+00
               111           112           113           114           115 
      1   0.313385D+01  0.236424D+01 -0.257714D+01 -0.158264D+01  0.521370D+01
      2  -0.755150D+00 -0.257714D+01  0.465981D+01  0.388642D+01 -0.246594D+01
      3  -0.123299D+01 -0.158264D+01  0.388642D+01  0.320648D+01 -0.295221D+01
               116           117           118           119           120 
      1  -0.246594D+01 -0.295221D+01  0.260739D+00 -0.292531D+00 -0.143124D+01
      2   0.434529D+01  0.406244D+01 -0.292531D+00  0.161206D+01 -0.120314D+00
      3   0.406244D+01  0.873777D+01 -0.143124D+01 -0.120314D+00 -0.983908D-01
               121           122           123           124           125 
      1  -0.137081D+01  0.254750D+01 -0.356951D+00 -0.319189D+01  0.909432D+00
      2   0.254750D+01 -0.613043D+01 -0.302377D+00  0.909432D+00 -0.173451D+01
      3  -0.356951D+00 -0.302377D+00 -0.254198D+00 -0.921141D+00  0.140026D+01
               126           127           128           129           130 
      1  -0.921141D+00  0.373223D+01 -0.913848D+00  0.253173D+01 -0.149902D+01
      2   0.140026D+01 -0.913848D+00  0.970701D+00 -0.941215D+00  0.767947D+00
      3  -0.396669D+01  0.253173D+01 -0.941215D+00  0.215571D+01 -0.126610D+01
               131           132           133           134           135 
      1   0.767947D+00 -0.126610D+01  0.256409D+01 -0.117448D+01  0.286403D+01
      2  -0.829570D+00  0.966194D+00 -0.117448D+01  0.165718D+01 -0.205167D+01
      3   0.966194D+00 -0.200039D+01  0.286403D+01 -0.205167D+01  0.495447D+01
               136           137           138           139           140 
      1  -0.211785D+01 -0.637122D+00  0.208940D+01 -0.401333D+00 -0.196174D+00
      2  -0.637122D+00 -0.374053D+00  0.625472D+00 -0.196174D+00 -0.522333D+00
      3   0.208940D+01  0.625472D+00 -0.216905D+01  0.690481D+00  0.807710D+00
               141           142           143           144           145 
      1   0.690481D+00  0.206435D+01  0.970130D+00 -0.265792D+01 -0.438196D+01
      2   0.807710D+00  0.970130D+00  0.156424D+01 -0.230484D+01  0.109072D+01
      3  -0.222790D+01 -0.265792D+01 -0.230484D+01  0.723526D+01 -0.211263D+01
               146           147           148           149           150 
      1   0.109072D+01 -0.211263D+01  0.160920D+01 -0.707361D+00  0.114881D+01
      2  -0.784205D+00  0.597157D+00 -0.707361D+00  0.660629D+00 -0.604572D+00
      3   0.597157D+00 -0.182513D+01  0.114881D+01 -0.604572D+00  0.177700D+01
               151           152           153           154           155 
      1  -0.239653D+01  0.850243D+00 -0.267888D+01  0.225904D+01  0.734553D+00
      2   0.850243D+00 -0.111266D+01  0.143374D+01  0.734553D+00  0.386890D+00
      3  -0.267888D+01  0.143374D+01 -0.474416D+01 -0.200013D+01 -0.332376D+00
               156           157           158           159           160 
      1  -0.200013D+01  0.374956D+00  0.251821D+00 -0.589561D+00 -0.225852D+01
      2  -0.332376D+00  0.251821D+00  0.401596D+00 -0.574204D+00 -0.832362D+00
      3   0.200129D+01 -0.589561D+00 -0.574204D+00  0.190663D+01  0.275289D+01
               161           162           163           164           165 
      1  -0.832362D+00  0.275289D+01  0.164289D+01 -0.534298D+00 -0.176282D+01
      2  -0.110100D+01  0.144366D+01 -0.534298D+00  0.971241D+00  0.549514D+00
      3   0.144366D+01 -0.719166D+01 -0.176282D+01  0.549514D+00  0.145427D+01
               166           167           168           169           170 
      1   0.856095D+00  0.159178D+01  0.567461D+00 -0.441233D+01  0.740444D+00
      2   0.159178D+01 -0.130797D+01 -0.133124D+01  0.740444D+00 -0.188683D+01
      3   0.567461D+00 -0.133124D+01 -0.143768D+01  0.298793D+01 -0.263050D+01
               171           172           173           174           175 
      1   0.298793D+01  0.322418D+01 -0.192996D+01  0.115838D+01 -0.254271D+01
      2  -0.263050D+01 -0.192996D+01  0.241244D+01 -0.447824D+00  0.327385D+01
      3  -0.660534D+01  0.115838D+01 -0.447824D+00  0.690340D+00 -0.636095D+00
               176           177           178           179           180 
      1   0.327385D+01 -0.636095D+00  0.424834D+01 -0.938476D+00  0.133496D+01
      2  -0.555287D+01  0.154956D+01 -0.938476D+00  0.277790D+01 -0.174037D+01
      3   0.154956D+01 -0.116737D+01  0.133496D+01 -0.174037D+01  0.105307D+01
               181           182           183           184           185 
      1   0.136740D+02 -0.155421D+01 -0.160683D+01 -0.318046D+01  0.120084D+01
      2  -0.155421D+01  0.112158D+01  0.201117D+00  0.120084D+01 -0.104780D+01
      3  -0.160683D+01  0.201117D+00  0.133621D+01  0.172045D+00 -0.674897D+00
               186           187           188           189           190 
      1   0.172045D+00 -0.215132D+01  0.494443D-01  0.195814D+01 -0.682131D+01
      2  -0.674897D+00  0.494443D-01 -0.735624D+00  0.107789D+00  0.439147D+00
      3  -0.728947D-01  0.195814D+01  0.107789D+00 -0.272278D+00  0.728714D+00
               191           192           193           194           195 
      1   0.439147D+00  0.728714D+00  0.413967D+00 -0.708743D+00 -0.676854D+00
      2  -0.121956D+01 -0.752305D+00 -0.708743D+00  0.927363D+00  0.849400D+00
      3  -0.752305D+00 -0.189595D+01 -0.676854D+00  0.849400D+00  0.348957D+00
               196           197           198           199           200 
      1   0.719520D+00 -0.416975D+00 -0.921073D+00  0.420606D+01  0.319727D+01
      2  -0.416975D+00  0.629465D+00  0.827440D-01  0.319727D+01  0.301333D+01
      3  -0.921073D+00  0.827440D-01  0.102997D+01  0.219048D+01  0.130351D+01
               201           202           203           204           205 
      1   0.219048D+01  0.390832D+01  0.394932D+01  0.187366D+01  0.129072D+01
      2   0.130351D+01  0.394932D+01  0.541701D+01  0.269931D+01  0.923146D+00
      3   0.188544D+01  0.187366D+01  0.269931D+01  0.205267D+01  0.157545D+01
               206           207           208           209           210 
      1   0.923146D+00  0.157545D+01  0.128355D+01 -0.708458D+00  0.167674D+01
      2   0.142652D+01  0.125004D+01 -0.708458D+00  0.127656D+01 -0.657138D+00
      3   0.125004D+01  0.138086D+01  0.167674D+01 -0.657138D+00  0.162777D+01
               211           212           213           214           215 
      1  -0.139860D+01  0.132664D+01 -0.125440D+01  0.163918D+01 -0.681658D+00
      2   0.132664D+01 -0.333905D+01  0.264313D+01 -0.681658D+00  0.210720D+01
      3  -0.125440D+01  0.264313D+01 -0.357987D+01  0.165828D+01 -0.222035D+01
               216           217           218           219           220 
      1   0.165828D+01  0.311792D+00  0.377717D+00 -0.122764D+01 -0.145959D-01
      2  -0.222035D+01  0.377717D+00  0.613382D+00 -0.965791D-01  0.415907D+00
      3   0.423691D+01 -0.122764D+01 -0.965791D-01  0.112932D+01  0.688667D-01
               221           222           223           224           225 
      1   0.415907D+00  0.688667D-01 -0.150711D+01 -0.303855D+00  0.142132D+01
      2  -0.984267D-01 -0.746496D+00 -0.303855D+00 -0.127459D+01  0.270935D+00
      3  -0.746496D+00 -0.128745D+01  0.142132D+01  0.270935D+00 -0.911210D+01
               226           227           228           229           230 
      1   0.372252D+01  0.374142D+01 -0.567820D-01  0.358281D+01  0.444631D+01
      2   0.374142D+01  0.415973D+01 -0.262808D+00  0.444631D+01  0.768261D+01
      3  -0.567820D-01 -0.262808D+00  0.965183D+00 -0.185951D+00 -0.126842D+00
               231           232           233           234           235 
      1  -0.185951D+00  0.950128D+00  0.704484D+00  0.868445D+00 -0.706914D+01
      2  -0.126842D+00  0.704484D+00  0.150606D+01  0.747975D+00  0.663395D+00
      3   0.715511D+00  0.868445D+00  0.747975D+00 -0.242745D+00  0.611204D+00
               236           237           238           239           240 
      1   0.663395D+00  0.611204D+00  0.522238D+00 -0.129331D+01  0.232649D+00
      2  -0.209252D+01  0.370811D+00 -0.129331D+01  0.140322D+01  0.228159D+00
      3   0.370811D+00 -0.107583D+01  0.232649D+00  0.228159D+00  0.125931D+00
               241           242           243           244           245 
      1   0.810765D+00 -0.635741D-01 -0.555266D+00 -0.416461D-01 -0.897115D+00
      2  -0.635741D-01  0.697428D+00  0.118085D+00 -0.897115D+00 -0.650746D+00
      3  -0.555266D+00  0.118085D+00 -0.423101D+00  0.129422D+01  0.258454D+00
               246           247           248           249           250 
      1   0.129422D+01 -0.125237D+01 -0.115778D+01  0.392149D+00  0.256130D+01
      2   0.258454D+00 -0.115778D+01 -0.901137D+00  0.123948D+01  0.384239D+00
      3  -0.120772D+01  0.392149D+00  0.123948D+01 -0.151945D+01 -0.186721D+01
               251           252           253           254           255 
      1   0.384239D+00 -0.186721D+01  0.807373D+01 -0.122109D+01 -0.221086D+01
      2   0.147375D+01 -0.136412D+01 -0.122109D+01 -0.320953D+01 -0.105865D+01
      3  -0.136412D+01  0.528308D+01 -0.221086D+01 -0.105865D+01 -0.159433D+01
               256           257           258           259           260 
      1  -0.414830D+01 -0.276890D+01 -0.128931D+01 -0.659521D+01 -0.147264D+01
      2  -0.276890D+01  0.523822D+01 -0.438495D+00 -0.147264D+01 -0.180149D+01
      3  -0.128931D+01 -0.438495D+00 -0.244499D+01 -0.210222D+01 -0.246576D+01
               261           262           263           264           265 
      1  -0.210222D+01 -0.113193D+01  0.136085D+01 -0.546648D+00  0.228132D+01
      2  -0.246576D+01  0.136085D+01 -0.157105D+01  0.384765D+00 -0.316452D+01
      3   0.290053D+01 -0.546648D+00  0.384765D+00 -0.418024D+00  0.758027D+00
               266           267           268           269           270 
      1  -0.316452D+01  0.758027D+00 -0.647520D-01 -0.211911D+00 -0.316903D+00
      2   0.838320D+01 -0.166588D+01 -0.211911D+00  0.340490D+00  0.595774D+00
      3  -0.166588D+01  0.149559D+01 -0.316903D+00  0.595774D+00 -0.616854D+00
               271           272           273           274           275 
      1  -0.118708D+00  0.508318D+00 -0.570922D+00  0.145516D+01  0.350866D+00
      2   0.508318D+00  0.518963D+00  0.184113D+00  0.350866D+00  0.390297D+00
      3  -0.570922D+00  0.184113D+00  0.388245D+00  0.339431D+00 -0.673358D+00
               276           277           278           279           280 
      1   0.339431D+00 -0.181200D+01 -0.184917D+00 -0.683980D+00 -0.151985D+02
      2  -0.673358D+00 -0.184917D+00 -0.111932D+01  0.373193D+00 -0.146132D+01
      3   0.123135D+01 -0.683980D+00  0.373193D+00 -0.618946D+01 -0.105846D+00
               281           282           283           284           285 
      1  -0.146132D+01 -0.105846D+00  0.921826D+00 -0.119758D+01  0.137156D+00
      2  -0.123453D+01 -0.138333D+00 -0.119758D+01 -0.554844D+00  0.120925D+00
      3  -0.138333D+00 -0.101978D+01  0.137156D+00  0.120925D+00  0.384624D+00
               286           287           288           289           290 
      1   0.207313D+01  0.386468D+00 -0.112996D+01 -0.125011D+00 -0.854584D+00
      2   0.386468D+00  0.547295D+00  0.142384D+00 -0.854584D+00  0.175658D+01
      3  -0.112996D+01  0.142384D+00  0.721078D-01  0.257728D+00  0.331462D+00
               291           292           293           294           295 
      1   0.257728D+00 -0.153550D+01 -0.502570D+00 -0.123865D+00  0.922840D+00
      2   0.331462D+00 -0.502570D+00 -0.938912D+01 -0.878125D+00  0.266277D+00
      3   0.431542D+00 -0.123865D+00 -0.878125D+00 -0.102453D+01  0.126155D+00
               296           297 
      1   0.266277D+00  0.126155D+00
      2   0.458875D+00 -0.824830D+00
      3  -0.824830D+00 -0.420719D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.147684D+01  0.149918D+01  0.329580D+01  0.877850D+01  0.159002D+01
      2  -0.511218D+00 -0.223610D+01  0.364755D+01 -0.354419D+01 -0.180738D+01
      3   0.146725D+02 -0.136734D+01 -0.104574D+01  0.128495D+02  0.185185D+01
                 6             7             8             9            10 
      1  -0.219411D+01  0.225840D+01  0.375919D+01  0.181857D+00 -0.262631D+01
      2   0.705897D+00 -0.446776D+01  0.567924D+00  0.131391D+00  0.136434D-03
      3  -0.493263D+01 -0.131566D+02 -0.262832D+01 -0.718247D+00 -0.362269D+02
                11            12            13            14            15 
      1  -0.740420D+00  0.170820D+01  0.207378D+01  0.418194D+01 -0.892136D+01
      2   0.624947D+00 -0.188669D+01  0.400471D+01  0.575965D+00 -0.159767D+00
      3  -0.195285D+01  0.130174D+01  0.103937D+02 -0.229330D+01 -0.869557D+00
                16            17            18            19            20 
      1  -0.347268D+01 -0.308732D+01 -0.383592D+01 -0.184788D+01 -0.645551D+00
      2  -0.215136D+02 -0.146588D+01 -0.385596D+01 -0.158132D+01 -0.259123D+01
      3   0.214170D+00 -0.608361D+00 -0.122010D+01 -0.146120D+02 -0.452942D+00
                21            22            23            24            25 
      1  -0.185780D+01 -0.493524D+01  0.134030D+01  0.340708D+00 -0.846592D+00
      2   0.818691D+01 -0.239828D+01  0.159950D+01 -0.180229D+01 -0.726393D+01
      3   0.271292D+01  0.154084D+02 -0.816437D+00  0.254561D+01 -0.107730D+02
                26            27            28            29            30 
      1   0.395368D+01  0.216070D+01 -0.131931D-01  0.145820D+01 -0.237912D+01
      2  -0.767128D+00  0.108714D+01  0.314335D+01  0.788546D+00 -0.252042D+01
      3   0.365063D+01  0.153092D+01  0.306052D+02 -0.495170D+00 -0.193681D+01
                31            32            33            34            35 
      1  -0.141524D+00  0.417487D+01 -0.863980D+01 -0.533205D+01 -0.207392D+01
      2   0.336403D+01 -0.306072D+00  0.262172D+01 -0.234239D+02  0.436414D+01
      3   0.763079D+01  0.527003D+01  0.900066D+00 -0.635100D+01 -0.108929D+01
                36            37            38            39            40 
      1  -0.281507D+01  0.136427D+00  0.115359D+01 -0.157411D+01  0.518862D+01
      2   0.102651D+01 -0.438888D+01 -0.139155D+01  0.410239D+01 -0.355423D+01
      3   0.212327D+01 -0.112457D+02 -0.749451D+00  0.306078D+01  0.736919D+01
                41            42            43            44            45 
      1  -0.232573D+01 -0.351766D+01  0.386759D+01  0.214406D+01 -0.167552D+01
      2  -0.185074D+01  0.844943D+00 -0.217940D+01  0.151779D+00 -0.161170D+01
      3   0.128857D+01 -0.239130D+01  0.177848D+02 -0.158079D+01 -0.435214D+01
                46            47            48            49            50 
      1   0.142390D+01 -0.205089D+01  0.908939D+00 -0.705244D+01 -0.211967D+01
      2   0.367014D+01 -0.237266D+01  0.945592D+01 -0.193370D+01  0.188298D+01
      3   0.183579D+02 -0.208883D+01  0.277803D+01  0.721372D+01 -0.135785D+01
                51            52            53            54            55 
      1  -0.234382D+01 -0.132199D+01  0.252951D+01 -0.532718D-01  0.128902D+01
      2  -0.340237D+01 -0.472333D+01 -0.117810D+01  0.227622D+01 -0.656839D+01
      3   0.249498D+01  0.143257D+02  0.742109D+00  0.263388D+01  0.239804D+02
                56            57            58            59            60 
      1   0.158430D+01 -0.363266D+00  0.365239D+01 -0.319412D+01  0.262883D+01
      2  -0.590800D+00 -0.392786D+01 -0.372097D+01 -0.123111D+02  0.867418D+01
      3   0.137686D+02  0.893152D-01  0.412152D+02  0.105428D+02  0.848270D+01
                61            62            63            64            65 
      1  -0.928983D+00  0.854666D+01  0.420900D+01 -0.171852D+01  0.240551D-01
      2  -0.208798D+02  0.108451D+02  0.158745D+02  0.117105D+02 -0.272243D+00
      3   0.333631D+01  0.108292D+02 -0.618592D+01 -0.292555D+02 -0.175648D+02
                66            67            68            69            70 
      1  -0.920710D+00 -0.269675D+01 -0.237576D+01 -0.235896D+01  0.273267D+01
      2   0.765382D+01  0.391058D+01  0.156545D+02 -0.133115D+02 -0.140137D+01
      3   0.173531D+01 -0.270809D+02 -0.937395D+01 -0.137569D+02 -0.480393D+01
                71            72            73            74            75 
      1   0.572832D+01  0.216511D+01 -0.234730D+01 -0.676038D+01  0.785249D+00
      2  -0.115859D+02 -0.180261D+02 -0.185588D+02  0.556113D+01  0.237598D+01
      3  -0.146249D+02  0.949248D+01  0.184747D+02  0.981306D+01 -0.231129D+01
                76            77            78            79            80 
      1  -0.953971D+01  0.119737D+01 -0.147520D+02  0.101357D+01 -0.730567D+01
      2   0.711533D+01 -0.104234D+02  0.126615D+02  0.258449D+01  0.108828D+02
      3   0.182076D+02  0.268077D+01  0.170825D+02 -0.313689D+01  0.125873D+02
                81            82            83            84            85 
      1   0.352365D+01  0.609625D+01  0.450942D+01  0.178644D+01  0.579154D+01
      2   0.120646D+02  0.103575D+01 -0.404009D+01 -0.298817D+01 -0.702126D+01
      3  -0.109915D+02  0.256461D+02  0.456193D+01 -0.238943D+01  0.828243D+01
                86            87            88            89            90 
      1   0.941078D+01 -0.550548D+01  0.337758D+01  0.252842D+01 -0.166194D+02
      2  -0.141246D+02  0.124492D+02 -0.647225D+01  0.809040D+01  0.211330D+02
      3   0.242792D+01  0.100764D+02  0.820833D+00  0.119025D+02 -0.861664D+01
                91            92            93            94            95 
      1   0.164012D+01 -0.987335D+00  0.147410D+01  0.402467D+00 -0.153659D+01
      2  -0.102640D+02  0.227691D+00 -0.206695D+01 -0.591709D+00 -0.409535D+01
      3  -0.356601D+01  0.299442D+00 -0.915402D+00  0.322858D+02 -0.167944D+02
                96            97            98            99           100 
      1  -0.226784D+01  0.131438D+01  0.521686D+01 -0.225916D+00  0.141326D+01
      2  -0.963613D+01 -0.168192D+02 -0.967525D+01  0.115051D+02  0.516866D+01
      3  -0.113462D+01  0.155786D+01 -0.945291D+00  0.643276D+01  0.134359D+02
               101           102           103           104           105 
      1   0.152573D+01 -0.301819D+01  0.961865D+00 -0.148570D+01  0.121602D+01
      2  -0.379687D+01  0.796829D+01 -0.157327D+01  0.529037D+01  0.151869D+02
      3  -0.164445D+02  0.166998D+01 -0.799689D+01  0.151147D+01 -0.401933D+01
               106           107           108           109           110 
      1  -0.372783D+01  0.626532D-01  0.444084D+01 -0.350436D+01 -0.201462D+01
      2  -0.138841D+01  0.128790D+02  0.862154D+01 -0.842992D+01  0.232711D+01
      3   0.808659D+01 -0.922492D+01 -0.938975D+01 -0.636712D-01  0.165353D+00
               111           112           113           114           115 
      1   0.170418D+01 -0.179210D+01  0.358751D+01 -0.614234D+01  0.880278D+00
      2   0.389609D+01 -0.149008D+01 -0.106736D+02 -0.130698D+02  0.144592D+01
      3  -0.187744D+00 -0.302441D+01  0.185514D+02  0.121057D+02 -0.100698D+02
               116           117           118           119           120 
      1   0.583590D+01 -0.102661D+02  0.354733D+01 -0.582956D+00  0.424050D+00
      2  -0.122246D+02 -0.300397D+02  0.516208D+01 -0.650745D-01  0.176498D+01
      3   0.156209D+02  0.120312D+02 -0.278788D+01  0.406675D+01 -0.289555D+01
               121           122           123           124           125 
      1  -0.120984D+01  0.523836D+01 -0.186918D+01 -0.118259D+01  0.617746D+01
      2   0.103913D+01  0.324584D+01 -0.689792D+00 -0.111420D+01 -0.402082D+01
      3   0.764645D+01 -0.170586D+02 -0.195986D+01  0.287040D+01 -0.642318D+01
               126           127           128           129           130 
      1   0.762963D+01  0.352691D+01  0.155994D+01  0.295694D+01 -0.148058D+01
      2   0.146837D+02 -0.533275D+01 -0.106283D+00 -0.547147D+00  0.790365D+00
      3   0.506107D+01 -0.618695D+01 -0.113817D+01 -0.289370D+01  0.331488D+01
               131           132           133           134           135 
      1   0.456436D+00 -0.364347D+01  0.314205D+01  0.128712D+01  0.505558D+01
      2   0.124105D-01 -0.131075D+01 -0.272923D+01 -0.543978D+00  0.210036D+01
      3   0.412113D+00  0.820194D+00 -0.322481D+01 -0.153483D+01 -0.193310D+01
               136           137           138           139           140 
      1   0.217437D+01 -0.924566D+00 -0.251522D+01  0.110069D+01  0.303196D+00
      2   0.441979D+01  0.509984D+00 -0.130926D+01  0.467050D+00  0.114215D-01
      3   0.309674D+01  0.349973D-01 -0.231812D+01  0.183746D+01 -0.177358D+00
               141           142           143           144           145 
      1  -0.374303D+01 -0.197365D+01  0.211588D+01  0.626622D+01 -0.262656D+01
      2   0.653334D+00 -0.456158D+01 -0.479911D+00 -0.481707D+00 -0.980134D+01
      3  -0.837269D+00 -0.259772D+01  0.772916D+00  0.232450D+01  0.501837D+00
               146           147           148           149           150 
      1   0.325717D+01 -0.933617D+00  0.157855D+01 -0.159879D+01 -0.522760D+00
      2   0.169723D+01 -0.165419D+01  0.198634D+01 -0.992743D+00  0.327069D+00
      3  -0.152291D+01  0.821493D+00  0.887346D+00  0.108041D+01 -0.152120D+00
               151           152           153           154           155 
      1  -0.191996D+01  0.407402D+01 -0.321385D+01 -0.286300D+01 -0.239592D+01
      2  -0.425210D+01  0.365512D+00  0.216884D+00  0.529843D+01  0.153590D+01
      3   0.915106D+00 -0.246107D+01  0.173178D+01 -0.910399D+00 -0.104320D+01
               156           157           158           159           160 
      1   0.133991D+01 -0.771525D+00 -0.141994D+01 -0.156506D+00  0.340530D+01
      2  -0.150839D+01  0.659508D+00  0.259757D+00  0.318635D+00 -0.493695D+01
      3   0.100606D+01  0.105643D+01 -0.379568D+00  0.293773D+00  0.136619D+01
               161           162           163           164           165 
      1   0.542891D+01 -0.567751D+01 -0.131841D+01 -0.383494D+00  0.142675D+01
      2  -0.582894D+00 -0.196472D+01 -0.628864D+01  0.977178D+00  0.560969D+01
      3   0.229986D+01 -0.195391D+01 -0.924888D+00 -0.405495D+01  0.599796D+00
               166           167           168           169           170 
      1  -0.423820D-02 -0.421023D-01 -0.227043D+01  0.283685D+01  0.694972D+00
      2   0.187160D+01 -0.359829D+01 -0.498538D+01  0.524728D+01 -0.934435D+01
      3  -0.498354D+01  0.250455D+01  0.319821D+01  0.334080D+01  0.571603D+01
               171           172           173           174           175 
      1  -0.730029D+01  0.188853D+01 -0.138693D+01  0.175956D+01 -0.253901D+01
      2  -0.225489D+02  0.677138D+01 -0.263948D+01  0.483624D+01 -0.311152D+01
      3   0.449171D+01  0.263109D+01 -0.718743D+01  0.199337D+00 -0.558155D+01
               176           177           178           179           180 
      1   0.404946D+01 -0.474992D+01  0.197689D+01 -0.236746D+01  0.314636D+01
      2   0.793098D+01 -0.565235D+01  0.447042D+01 -0.727031D+01  0.472615D+01
      3   0.152852D+02 -0.425661D+01 -0.273519D+01 -0.903793D+01  0.421223D+01
               181           182           183           184           185 
      1   0.338141D+00 -0.512781D+00 -0.221291D+00  0.700860D-01  0.478370D+00
      2  -0.373398D+01  0.540888D+00  0.893865D+01 -0.122624D+00 -0.309073D+01
      3   0.637350D+01 -0.843762D+01 -0.858643D+00 -0.224712D+01  0.489321D+01
               186           187           188           189           190 
      1  -0.110334D+01 -0.571148D+00  0.100868D+01 -0.144876D+00 -0.166095D+01
      2   0.214733D-01  0.629515D+01  0.614671D+00 -0.637618D+00  0.208685D+02
      3   0.325784D+01  0.187089D+00  0.391429D+01 -0.727167D+00 -0.104077D+02
               191           192           193           194           195 
      1  -0.240485D+01  0.137193D+01 -0.154251D+01  0.264567D+00  0.289062D-01
      2  -0.337204D+01 -0.750815D+01 -0.265833D+01  0.531389D+01  0.213224D+01
      3   0.325756D+01  0.378965D+01  0.472807D+01 -0.339939D+01 -0.362314D+01
               196           197           198           199           200 
      1   0.873685D+00  0.204368D+01 -0.612690D+00  0.360756D+01  0.523006D+01
      2  -0.826061D+01  0.106962D+01  0.524669D+01  0.220849D+01  0.104380D+00
      3   0.241885D+01 -0.219466D+01 -0.143793D+01 -0.930623D+01 -0.115177D+02
               201           202           203           204           205 
      1  -0.572117D+00  0.581756D+01  0.794236D+01  0.391156D+00  0.918771D+00
      2   0.610068D+01 -0.170722D+00  0.487864D+01  0.678599D+01  0.256994D+01
      3  -0.360436D+01 -0.106572D+02 -0.200884D+02 -0.958672D+01 -0.183301D+01
               206           207           208           209           210 
      1   0.300904D+01  0.583951D+00 -0.260609D+01  0.321465D+01 -0.197770D+01
      2   0.303291D+01  0.343566D+01  0.568170D+01 -0.126966D+01  0.488187D+01
      3  -0.548800D+01 -0.389948D+01  0.276568D+01 -0.601234D+01  0.326598D+01
               211           212           213           214           215 
      1   0.290144D+01 -0.100204D+02  0.571832D+01 -0.234560D+01  0.820717D+01
      2  -0.107202D+01  0.905482D+01 -0.135069D+02  0.148269D+01 -0.815277D+01
      3  -0.341685D+01  0.145709D+02 -0.104180D+02  0.259174D+01 -0.886565D+01
               216           217           218           219           220 
      1  -0.637863D+01  0.173903D+01 -0.704313D+00 -0.163345D+01 -0.362660D+00
      2   0.146820D+02 -0.504341D+01 -0.294290D+00  0.330675D+01 -0.583914D+00
      3   0.913220D+01 -0.217844D+01 -0.256025D+01 -0.117805D+01 -0.512893D+00
               221           222           223           224           225 
      1   0.198856D+01  0.240222D+01 -0.166663D+01  0.507883D+01  0.166712D+02
      2  -0.231493D+01 -0.510229D+01 -0.369474D+00  0.231078D+00 -0.320952D+02
      3   0.140161D+01  0.233096D+01 -0.121775D+01  0.452835D+01 -0.770859D+00
               226           227           228           229           230 
      1  -0.437682D+01 -0.461394D+01 -0.308990D+01 -0.563118D+01 -0.893059D+01
      2   0.365066D+01  0.274027D+01  0.538339D+01  0.359535D+01  0.411663D+01
      3  -0.742754D+01 -0.111222D+02  0.132019D+01 -0.703034D+01 -0.225306D+02
               231           232           233           234           235 
      1  -0.396573D+01 -0.233639D+01 -0.190474D+01 -0.627222D+00 -0.763627D+00
      2   0.364426D+01  0.356556D+01  0.310531D+01 -0.433367D-01 -0.871800D+01
      3   0.355230D+00 -0.743206D+00 -0.508531D+01 -0.150267D+01 -0.219812D+02
               236           237           238           239           240 
      1   0.172465D+01  0.257128D+01  0.146628D+01 -0.147666D+01 -0.115445D+01
      2   0.206269D+01 -0.107848D+01  0.162969D+01 -0.116970D+01 -0.333510D+00
      3   0.684136D+01  0.632949D-02  0.730594D+01 -0.693245D+01 -0.685146D+00
               241           242           243           244           245 
      1   0.200409D+01  0.528159D+00  0.296494D+00  0.101272D+00 -0.395144D+00
      2  -0.334641D+01 -0.217803D+00 -0.211601D+01 -0.498517D+01 -0.468746D+00
      3   0.136162D+01 -0.259565D+01 -0.170533D+01 -0.294673D+01 -0.212270D+01
               246           247           248           249           250 
      1  -0.688365D+00 -0.826266D-01  0.198307D+00 -0.158022D+01 -0.732827D+00
      2   0.396315D+01  0.322884D-01 -0.328643D+01  0.515538D+01  0.113377D+01
      3   0.749097D-02 -0.937062D+00 -0.208224D+01  0.326229D+01 -0.101696D+01
               251           252           253           254           255 
      1   0.222541D+01  0.286010D+01 -0.205175D+01  0.796168D+00 -0.253703D+01
      2   0.435587D+01 -0.164529D+02  0.189990D+02  0.455109D+01  0.860702D+01
      3   0.429147D+01 -0.311469D+01 -0.164849D+02 -0.121266D+02 -0.484042D+00
               256           257           258           259           260 
      1  -0.117843D+01 -0.630170D+01 -0.587677D+01 -0.109610D+01 -0.736570D+00
      2   0.402696D+01  0.303173D+00  0.874014D+01  0.517484D+01  0.939831D+01
      3  -0.266784D+01  0.246248D+02  0.869934D+00  0.200075D+01 -0.244132D+01
               261           262           263           264           265 
      1   0.814247D+01 -0.468608D-02  0.695130D+00  0.628325D+00  0.116114D+01
      2  -0.161730D+02  0.109356D+01 -0.564149D+00  0.129272D+01 -0.109321D+01
      3  -0.677027D+01  0.295409D+01 -0.365753D+01  0.138728D+01 -0.601819D+01
               266           267           268           269           270 
      1  -0.415571D+01 -0.261050D+01 -0.173805D+00  0.855810D-01 -0.425009D+00
      2   0.406450D+01 -0.490041D+01  0.434749D+00 -0.156000D+01  0.154610D+01
      3   0.260356D+02 -0.500713D+01 -0.529379D+00  0.128977D+01  0.175062D+01
               271           272           273           274           275 
      1  -0.213580D+01 -0.834239D+00  0.509843D+00 -0.242796D+00 -0.295272D+01
      2   0.547944D+01  0.469470D+00 -0.247569D+01  0.161691D+01  0.356394D+01
      3   0.250592D+01  0.991233D+00  0.100096D+01  0.867066D+00  0.135096D+01
               276           277           278           279           280 
      1   0.200369D+01 -0.129876D+00  0.434182D+01 -0.105431D+02  0.867942D+00
      2  -0.533302D+01 -0.265149D+01 -0.248905D+01  0.249623D+02 -0.961119D+01
      3  -0.289977D+01  0.122929D+01 -0.405831D+01  0.302030D+01  0.155848D+02
               281           282           283           284           285 
      1   0.753921D+00 -0.177760D+01  0.956902D+00  0.586454D+00  0.207677D-01
      2  -0.150676D+00  0.772408D+01 -0.575200D+00 -0.123354D+01 -0.143051D+01
      3  -0.625816D+01 -0.766765D+00 -0.463806D+01 -0.486639D+00  0.443019D+00
               286           287           288           289           290 
      1  -0.190550D+01  0.870358D+00 -0.134693D+00  0.119836D+01 -0.647832D+00
      2   0.437580D+01 -0.837842D+00 -0.576528D+00 -0.926623D+00 -0.175442D+01
      3  -0.134121D+01  0.174860D+01  0.227990D+01 -0.466619D+01  0.665594D+01
               291           292           293           294           295 
      1   0.140799D+01 -0.316519D+00  0.620518D+01 -0.366203D+01  0.654692D+00
      2  -0.142372D+01 -0.894608D+00  0.351930D+01  0.370383D+01 -0.162409D+01
      3   0.311108D+00  0.389142D+01 -0.329156D+02 -0.235512D+01 -0.877667D+00
               296           297 
      1  -0.585276D+00 -0.622654D-01
      2   0.284469D+01  0.166958D+01
      3   0.993746D+00 -0.295912D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.800600D+01  0.112604D+02 -0.230405D+02 -0.183987D+01 -0.138658D+02
      2   0.193621D+01 -0.942863D+01  0.768787D+01 -0.696113D+01  0.229014D+02
      3   0.606979D+01 -0.183180D+01  0.153526D+02  0.880100D+01 -0.903559D+01
      4   0.113308D+02 -0.843382D+00  0.616575D+01  0.857760D+01 -0.655696D+01
      5  -0.138118D+02  0.540592D+01 -0.670864D+00  0.902071D+01  0.267956D+01
      6   0.456296D+01  0.472849D+01 -0.469611D+01 -0.714557D+00 -0.593782D+01
                 6             7             8             9            10 
      1   0.568059D+01  0.354668D+02 -0.260194D+01  0.108538D+02  0.483742D+02
      2  -0.116709D+02 -0.964858D+01 -0.187742D+01 -0.567319D+01 -0.226693D+02
      3   0.599028D+01 -0.258182D+02  0.447936D+01 -0.518066D+01 -0.257048D+02
      4   0.190995D+01 -0.399678D+01  0.173866D+01  0.692475D+01 -0.980982D+01
      5   0.702616D+01  0.589049D+01  0.684479D+01 -0.583214D+01 -0.759516D+01
      6   0.425616D+01  0.108187D+02 -0.256700D+01  0.732969D+01  0.213566D+01
                11            12            13            14            15 
      1   0.881891D+01 -0.165654D+01  0.144842D+02 -0.199769D+01  0.513221D+01
      2  -0.866264D+01  0.336626D+01 -0.138932D+02  0.711447D+01 -0.106245D+01
      3  -0.156273D+00 -0.170972D+01 -0.591026D+00 -0.511678D+01 -0.406976D+01
      4   0.250536D+01 -0.318470D+01  0.166109D+02 -0.653542D+01 -0.853659D+00
      5  -0.388522D+01  0.947832D+01  0.118767D+02  0.426859D+00 -0.384914D+01
      6   0.399361D+00 -0.727943D+01 -0.422720D+01  0.375327D+01  0.887947D+01
                16            17            18            19            20 
      1  -0.939663D+01  0.561433D+01 -0.198317D+02  0.887482D+01 -0.136034D+02
      2  -0.120627D+01  0.457014D+01  0.261665D+01  0.830265D+00  0.130823D+02
      3   0.106029D+02 -0.101845D+02  0.172150D+02 -0.970509D+01  0.521100D+00
      4   0.137123D+02 -0.681816D+00 -0.314186D+01 -0.960211D+01 -0.382503D-01
      5  -0.155216D+02 -0.392034D+01 -0.291772D+01  0.144649D+02  0.189282D+01
      6  -0.538164D+01  0.138492D+01 -0.443965D+01 -0.129751D+01 -0.576918D+01
                21            22            23            24            25 
      1   0.212303D+02  0.417898D+01 -0.113512D+02 -0.551282D+01 -0.161419D+02
      2  -0.121129D+02  0.443237D+01  0.180169D+02 -0.105970D+02  0.584252D+00
      3  -0.911738D+01 -0.861135D+01 -0.666571D+01  0.161098D+02  0.155576D+02
      4   0.265978D+01  0.138670D+02  0.639670D+01 -0.190020D+01 -0.409859D+01
      5  -0.110451D+02 -0.115048D+01 -0.103081D+01 -0.141389D+01  0.909804D+01
      6   0.618458D+01 -0.357316D+00 -0.745429D+01  0.555151D+01 -0.994942D+01
                26            27            28            29            30 
      1  -0.420399D+01  0.869898D+01  0.134602D+02 -0.315232D+01  0.252025D+01
      2  -0.416772D+01 -0.992912D+00 -0.278390D+01  0.700706D+01  0.454446D+00
      3   0.837171D+01 -0.770607D+01 -0.106763D+02 -0.385474D+01 -0.297469D+01
      4  -0.203229D+01 -0.591110D+01  0.191075D+02  0.230035D+01 -0.220223D+01
      5  -0.561864D+01  0.776148D+01  0.388861D+01 -0.187645D+01  0.755192D+01
      6   0.164841D+01  0.864325D+01  0.257027D+01 -0.671082D+00  0.514565D+01
                31            32            33            34            35 
      1  -0.245332D+01 -0.245872D+01  0.712526D+01 -0.740210D+01  0.865436D+01
      2   0.757073D+01  0.525247D+01 -0.179102D+01  0.155541D+01  0.351899D+01
      3  -0.511741D+01 -0.279375D+01 -0.533424D+01  0.584669D+01 -0.121733D+02
      4   0.128511D+02  0.100133D+01  0.121580D+01  0.105752D+02  0.484046D+01
      5   0.119844D+02  0.109021D+00  0.174365D+01 -0.183318D+02  0.337831D+01
      6  -0.137352D+01  0.357913D+01  0.608950D+01 -0.910848D+00  0.313088D+00
                36            37            38            39            40 
      1  -0.182452D+02 -0.311595D+01  0.388217D+01 -0.246703D+02 -0.862144D+01
      2   0.335884D+01 -0.101509D+01 -0.140589D+01  0.708165D+01 -0.199730D+01
      3   0.148864D+02  0.413103D+01 -0.247628D+01  0.175887D+02  0.106187D+02
      4   0.215725D+01  0.451594D+01 -0.111175D+01  0.316320D+01  0.398008D+01
      5   0.112785D+01 -0.180973D+02  0.293738D+01 -0.189134D+01  0.140251D+01
      6  -0.758435D+01  0.326832D+01  0.568299D+01  0.602931D+01  0.290126D+01
                41            42            43            44            45 
      1  -0.542726D+01 -0.567141D+01  0.210923D+02 -0.835555D+01  0.716635D+01
      2   0.593812D+01  0.263087D-01  0.322815D+00  0.136562D+01 -0.131770D+01
      3  -0.510863D+00  0.564511D+01 -0.214151D+02  0.698993D+01 -0.584865D+01
      4  -0.471627D+00  0.326016D+01  0.343790D+01  0.377538D+01  0.606133D+01
      5   0.124268D+01  0.727382D+01  0.114730D+02  0.541069D+01 -0.647345D+01
      6   0.287145D+01  0.839692D+01  0.105604D+02  0.289024D+01  0.110495D+02
                46            47            48            49            50 
      1   0.178557D+01 -0.719833D+01  0.208131D+02  0.128273D+02 -0.173200D+01
      2   0.618980D+01  0.301984D+01 -0.787844D+01 -0.321753D+01  0.318458D+01
      3  -0.797537D+01  0.417850D+01 -0.129346D+02 -0.960975D+01 -0.145259D+01
      4  -0.216534D+01  0.346105D+01 -0.188709D+01  0.935011D+01  0.497094D+01
      5   0.203856D+02 -0.283178D+00 -0.835771D+01 -0.872190D+01 -0.366556D+01
      6  -0.241280D+00 -0.398367D+01  0.477326D+00 -0.202897D+01  0.425475D+01
                51            52            53            54            55 
      1  -0.177103D+02 -0.216211D+02 -0.994615D+01  0.519618D+01 -0.265973D+02
      2   0.298453D+01  0.293914D+01  0.270451D+01  0.474088D+01  0.120585D+02
      3   0.147258D+02  0.186819D+02  0.724165D+01 -0.993706D+01  0.145388D+02
      4  -0.428565D+01  0.382515D+01 -0.259560D+01 -0.493533D+01 -0.770790D+01
      5  -0.266570D+01  0.944397D+01 -0.406648D+01  0.644689D+01 -0.576122D+01
      6   0.129698D+02 -0.586476D+01  0.670638D+01  0.137942D+02  0.124019D+01
                56            57            58            59            60 
      1  -0.109089D+02 -0.574309D+01 -0.343227D+02 -0.263917D+02  0.130875D+01
      2   0.785395D+01  0.503827D+00  0.246725D+02  0.651040D+01  0.639657D+01
      3   0.305498D+01  0.523927D+01  0.965023D+01  0.198813D+02 -0.770532D+01
      4  -0.308873D+02  0.272677D+00 -0.493561D+02  0.113097D+02 -0.161493D+02
      5  -0.236290D+00 -0.142281D+02 -0.112303D+01 -0.158774D+02  0.156160D+02
      6   0.460114D+00  0.191130D+01 -0.747408D-01  0.446077D+01 -0.598502D+01
                61            62            63            64            65 
      1  -0.146904D+02  0.127320D+01 -0.414986D+01 -0.963412D+02  0.314111D+02
      2  -0.201448D+01  0.756490D+01  0.681522D+01  0.521713D+02 -0.139462D+02
      3   0.167049D+02 -0.883810D+01 -0.266535D+01  0.441699D+02 -0.174649D+02
      4  -0.174177D+00 -0.205000D+02  0.288499D+02  0.303065D+02  0.269886D+02
      5  -0.260718D+02  0.251400D+02  0.364276D+02  0.247503D+02 -0.230190D+01
      6   0.119074D+02 -0.641137D+01 -0.115218D+02  0.106134D+01 -0.273812D+01
                66            67            68            69            70 
      1   0.244311D+02  0.641769D+02  0.263184D+02 -0.791535D+01  0.343727D+02
      2  -0.138755D+02 -0.293488D+02 -0.125151D+02  0.855517D+01 -0.139546D+02
      3  -0.105556D+02 -0.348281D+02 -0.138034D+02 -0.639817D+00 -0.204182D+02
      4  -0.119546D+01  0.326415D+02  0.114754D+02  0.243130D+02  0.223690D+01
      5   0.907753D+01 -0.164237D+01  0.258549D+02 -0.239644D+02  0.325431D+00
      6   0.214886D+01  0.175114D+01  0.671879D+01 -0.530974D+01 -0.302767D+01
                71            72            73            74            75 
      1  -0.464416D+01  0.460174D+01  0.387734D+02 -0.239789D+02 -0.195874D+02
      2   0.851365D+01 -0.209240D+01 -0.206500D+02  0.501774D+01  0.113109D+02
      3  -0.386949D+01 -0.250933D+01 -0.181235D+02  0.189612D+02  0.827651D+01
      4   0.227940D+02 -0.194807D+02 -0.228197D+02 -0.339662D+02 -0.632726D+01
      5  -0.201761D+02 -0.337870D+02 -0.117043D+02 -0.882345D+01 -0.199150D+02
      6  -0.612844D+01 -0.536786D+01 -0.157162D+02 -0.992441D+01 -0.109715D+01
                76            77            78            79            80 
      1  -0.317287D+02 -0.284817D+02 -0.103670D+01 -0.227266D+02  0.125227D+01
      2   0.636843D+01  0.182862D+02 -0.134268D+02  0.118201D+02 -0.130131D+02
      3   0.253602D+02  0.101955D+02  0.144635D+02  0.109066D+02  0.117609D+02
      4  -0.435613D+02 -0.152294D+02 -0.379742D+02 -0.172952D+01 -0.267061D+02
      5  -0.892793D+01 -0.451955D+02  0.242978D+02 -0.118879D+02  0.220092D+02
      6  -0.155478D+02 -0.715201D+01 -0.105400D+02  0.195795D+01 -0.869352D+01
                81            82            83            84            85 
      1  -0.116740D+02  0.393346D+02 -0.220477D+02 -0.119143D+02 -0.301508D+02
      2   0.172834D+01 -0.377151D+02 -0.803688D+00  0.551443D+01  0.440933D+00
      3   0.994568D+01 -0.161949D+01  0.228513D+02  0.639990D+01  0.297098D+02
      4   0.190925D+02 -0.185507D+02 -0.410804D+02 -0.195589D+00 -0.412056D+02
      5   0.128197D+02 -0.149509D+02  0.629688D+01 -0.632154D+01  0.368489D+01
      6   0.142776D+02  0.148827D+01  0.474144D+01 -0.337789D+01  0.312756D+01
                86            87            88            89            90 
      1  -0.273943D+02  0.886768D+01 -0.136140D+02  0.352141D+01 -0.433416D+00
      2  -0.920819D+00 -0.594742D+01  0.830586D+00 -0.740868D+01  0.253393D+02
      3   0.283151D+02 -0.292026D+01  0.127834D+02  0.388727D+01 -0.249059D+02
      4  -0.335854D+02 -0.152615D+02 -0.101857D+02 -0.232128D+02  0.121713D+02
      5  -0.130701D+02  0.238318D+02 -0.469043D+01  0.155924D+02  0.499256D+02
      6  -0.641214D+01  0.116860D+02 -0.159929D+01  0.108692D+02  0.105680D+02
                91            92            93            94            95 
      1   0.629270D+01 -0.401190D+01 -0.689808D+01 -0.826971D+01 -0.158783D+02
      2  -0.518413D+01 -0.821813D+00  0.120602D+01  0.753271D+01  0.824038D+01
      3  -0.110857D+01  0.483371D+01  0.569206D+01  0.737006D+00  0.763789D+01
      4  -0.157837D+02 -0.162683D+02 -0.492488D+01 -0.349723D+02  0.175006D+02
      5  -0.172337D+02 -0.321217D+01 -0.117477D+02 -0.100511D+02 -0.581085D+01
      6  -0.547260D+00 -0.573836D+01 -0.656116D+01 -0.198553D+01  0.220369D+01
                96            97            98            99           100 
      1  -0.706599D+01 -0.190167D+02 -0.742006D+01 -0.522199D+01  0.879375D+01
      2   0.307671D+01  0.396646D+01 -0.131558D+01  0.649476D+01 -0.321167D+01
      3   0.398927D+01  0.150502D+02  0.873564D+01 -0.127278D+01 -0.558207D+01
      4  -0.570299D+01 -0.182086D+02 -0.654475D+01 -0.220054D+02  0.764538D+01
      5  -0.194306D+02 -0.203410D+02 -0.206679D+02  0.223539D+02  0.105903D+02
      6  -0.342932D+01 -0.947368D+01 -0.530753D+01  0.772270D+01 -0.510131D+01
               101           102           103           104           105 
      1   0.180728D+01  0.400628D+01  0.115673D+02  0.619982D+01  0.169263D+01
      2  -0.126248D+00 -0.254355D+01 -0.111236D+02 -0.127463D+01  0.297559D+01
      3  -0.168103D+01 -0.146274D+01 -0.443680D+00 -0.492518D+01 -0.466821D+01
      4   0.229328D+01 -0.371498D+01 -0.170233D+01 -0.107357D+02  0.978767D+01
      5  -0.484468D+01 -0.230595D+01 -0.113016D+02  0.117780D+02  0.295379D+02
      6   0.351988D+01  0.661569D+01  0.537756D+01 -0.110802D+02 -0.185377D+02
               106           107           108           109           110 
      1   0.142494D+02  0.802206D+00  0.804124D+00  0.174655D+02 -0.139557D+02
      2  -0.234505D+01 -0.642379D+01  0.150245D+01 -0.105410D+02  0.651618D+01
      3  -0.119043D+02  0.562158D+01 -0.230658D+01 -0.692444D+01  0.743955D+01
      4  -0.906571D+01  0.194740D+02  0.239843D+02 -0.191274D+02  0.168188D+02
      5  -0.185938D+02  0.246873D+02  0.178839D+02 -0.275011D+02  0.939674D+01
      6   0.124597D+02 -0.208632D+02 -0.132529D+02  0.114017D+02 -0.281794D+01
               111           112           113           114           115 
      1  -0.210434D+02 -0.116811D+02 -0.863740D+01 -0.691556D+01 -0.234162D+02
      2   0.131692D+02  0.290053D+01  0.172262D+02  0.542050D+01  0.148338D+02
      3   0.787421D+01  0.878060D+01 -0.858877D+01  0.149506D+01  0.858241D+01
      4   0.122271D+02  0.265969D+02 -0.328590D+02 -0.242251D+02  0.219878D+02
      5   0.203294D+02  0.171501D+02 -0.263280D+02 -0.271724D+02  0.342244D+02
      6  -0.491485D+01 -0.802033D+01  0.246914D+02  0.266012D+02 -0.135338D+02
               116           117           118           119           120 
      1  -0.626223D+01 -0.672624D+01  0.731632D+01 -0.413886D+01  0.118546D+02
      2   0.617149D+01 -0.134487D+02 -0.635959D+01  0.737996D+01 -0.778260D+01
      3   0.907410D-01  0.201749D+02 -0.956728D+00 -0.324110D+01 -0.407196D+01
      4  -0.288340D+02 -0.257561D+02 -0.144363D+00 -0.537640D+01 -0.361609D+01
      5  -0.286407D+02 -0.646991D+02  0.107745D+02  0.759104D+00  0.735899D+01
      6   0.270165D+02  0.366930D+02 -0.424636D+01 -0.142118D+01 -0.142422D+01
               121           122           123           124           125 
      1   0.702879D+00 -0.321010D+01  0.324784D+01  0.146487D+02  0.170612D+01
      2   0.807226D+01 -0.149390D+02 -0.104693D+01 -0.815989D+01 -0.292793D+01
      3  -0.877514D+01  0.181491D+02 -0.220091D+01 -0.648886D+01  0.122181D+01
      4  -0.138949D+02  0.409940D+02  0.157416D+01 -0.924830D+01  0.119814D+02
      5   0.888447D+00  0.128593D+01 -0.144593D+01  0.160667D+02 -0.106679D+02
      6  -0.336772D+01  0.269593D+01  0.708452D+01 -0.433253D+01  0.130492D+02
               126           127           128           129           130 
      1  -0.168234D+01  0.335043D+01  0.270844D+01 -0.101806D+01  0.575700D+00
      2  -0.660597D+01 -0.290759D+01 -0.302652D+01 -0.188735D+01  0.239136D+00
      3   0.828832D+01 -0.442841D+00  0.318077D+00  0.290542D+01 -0.814837D+00
      4  -0.100587D+02 -0.955462D+01  0.765160D+01 -0.765341D+01  0.580393D+01
      5   0.294030D+02  0.159411D+02 -0.506651D+01  0.139404D+02 -0.710699D+01
      6  -0.168551D+02 -0.826358D+01  0.593959D+01 -0.831370D+01  0.579091D+01
               131           132           133           134           135 
      1  -0.350528D+01  0.518938D+01 -0.404375D+01  0.798166D+01 -0.143014D+02
      2   0.185810D+01 -0.432639D+00 -0.193770D+01 -0.417156D+01 -0.208919D+01
      3   0.164718D+01 -0.475674D+01  0.598146D+01 -0.381011D+01  0.163906D+02
      4  -0.567599D+01  0.597942D+01 -0.825947D+01  0.754788D+01 -0.105764D+02
      5   0.537976D+01 -0.814385D+01  0.154135D+02 -0.758659D+01  0.206499D+02
      6  -0.647533D+01  0.884154D+01 -0.105204D+02  0.119721D+02 -0.188958D+02
               136           137           138           139           140 
      1  -0.292284D+01 -0.186251D+01  0.550472D+01 -0.235039D+01 -0.445083D+01
      2  -0.266008D+01  0.505721D+00  0.272643D+01 -0.483224D+00  0.644172D+00
      3   0.558292D+01  0.135679D+01 -0.823114D+01  0.283362D+01  0.380666D+01
      4   0.530661D+01  0.367469D+01 -0.537557D+01  0.215967D+01  0.170279D+01
      5  -0.877225D+01 -0.327264D+01  0.112343D+02 -0.311441D+01 -0.251173D+01
      6  -0.606282D+01 -0.359693D+01  0.632903D+01 -0.304352D+01 -0.501510D+01
               141           142           143           144           145 
      1   0.819472D+01  0.757720D+01  0.104929D+02 -0.287650D+02  0.504037D+01
      2   0.332280D+00  0.196969D+01 -0.304919D+01 -0.544477D+01 -0.658284D+01
      3  -0.852700D+01 -0.954689D+01 -0.744370D+01  0.342098D+02  0.154247D+01
      4  -0.286853D+01 -0.567759D+01 -0.506572D+01  0.783566D+01 -0.140261D+01
      5   0.360348D+01  0.104035D+02  0.481011D+01 -0.162351D+02  0.125565D+02
      6   0.881254D+01  0.864458D+01  0.126875D+02 -0.236894D+02 -0.446159D+00
               146           147           148           149           150 
      1   0.153435D-01 -0.122405D+01  0.678568D+00 -0.120517D+01  0.484623D+01
      2   0.907609D+00 -0.472268D+01  0.199579D+01 -0.669766D+00  0.276983D+01
      3  -0.922952D+00  0.594673D+01 -0.267436D+01  0.187494D+01 -0.761606D+01
      4   0.394180D+01 -0.843919D+00  0.323963D+01 -0.326874D+01  0.127811D+01
      5  -0.293195D+01  0.103381D+02 -0.454427D+01  0.343230D+01 -0.595521D+01
      6   0.189349D+01 -0.709723D+00  0.100091D+01 -0.290291D+01  0.191207D+01
               151           152           153           154           155 
      1  -0.393432D+01  0.410408D+01 -0.130778D+02  0.442957D+00  0.943168D+00
      2  -0.612330D+01  0.138556D+01 -0.955301D+01 -0.572817D+01 -0.151891D+01
      3   0.100576D+02 -0.548964D+01  0.226309D+02  0.528521D+01  0.575743D+00
      4  -0.103379D+01  0.257887D+01 -0.171759D+01  0.168414D+01  0.286863D+01
      5   0.127139D+02 -0.401626D+01  0.160175D+02 -0.993769D+01 -0.240659D+01
      6  -0.152226D+01  0.460278D+01 -0.303581D+01  0.656402D+00 -0.178446D+01
               156           157           158           159           160 
      1   0.254114D+01 -0.192407D+01 -0.261945D+01  0.649196D+01  0.377225D+01
      2   0.568030D+01 -0.672388D+00 -0.893463D+00  0.299346D+01  0.737510D+01
      3  -0.822144D+01  0.259646D+01  0.351291D+01 -0.948542D+01 -0.111474D+02
      4  -0.504848D+00  0.183039D+01  0.122241D+01 -0.166059D+01 -0.189658D+01
      5   0.118629D+02 -0.244551D+01 -0.289491D+01  0.366987D+01  0.128759D+02
      6  -0.155931D+01 -0.129194D+01 -0.253278D+01  0.170013D+01  0.101318D+00
               161           162           163           164           165 
      1   0.339895D+01 -0.225606D+02  0.912854D+01 -0.283540D+01 -0.887168D+01
      2   0.225398D+01 -0.162630D+02 -0.762497D+01  0.844136D+00  0.635740D+01
      3  -0.565293D+01  0.388236D+02 -0.150357D+01  0.199127D+01  0.251428D+01
      4  -0.343256D+01  0.185993D+01 -0.685648D+01  0.105769D+02  0.745029D+01
      5   0.397431D+01 -0.208622D+02 -0.160671D+02  0.555379D+01  0.166154D+02
      6   0.500711D+01  0.122843D+00  0.495953D+01 -0.206907D+01 -0.347967D+01
               166           167           168           169           170 
      1   0.377425D+01  0.132725D+01 -0.241388D+01 -0.154224D+02 -0.414585D+01
      2  -0.307559D+01  0.723804D+00  0.118952D+01  0.132014D+02  0.662525D+00
      3  -0.698662D+00 -0.205106D+01  0.122436D+01  0.222102D+01  0.348333D+01
      4   0.126542D+02 -0.108603D+02 -0.977206D+01  0.128345D+02 -0.149082D+02
      5   0.554467D+01 -0.961231D+01 -0.101778D+02  0.279057D+02 -0.194753D+02
      6  -0.358518D+01  0.689302D+01  0.986690D+01 -0.955911D+01  0.122569D+02
               171           172           173           174           175 
      1  -0.310547D+01  0.195141D+02 -0.104101D+02  0.666522D+01 -0.106543D+02
      2  -0.112716D+02 -0.366663D+01 -0.268119D+00 -0.185527D+01 -0.403794D+01
      3   0.143771D+02 -0.158475D+02  0.106782D+02 -0.480996D+01  0.146922D+02
      4  -0.228922D+02 -0.226015D+02  0.257322D+02 -0.627241D+01  0.329965D+02
      5  -0.495380D+02  0.953060D+01 -0.414231D+01  0.766456D+01 -0.554181D+01
      6   0.195806D+02 -0.332891D+01  0.633068D+00 -0.182243D+01  0.235432D+01
               176           177           178           179           180 
      1   0.414160D+01 -0.576525D+00  0.176363D+02 -0.644975D+00  0.282611D+01
      2   0.176701D+02 -0.444884D+01 -0.451971D+01 -0.682609D+01  0.250410D+00
      3  -0.218117D+02  0.502537D+01 -0.131166D+02  0.747107D+01 -0.307652D+01
      4  -0.463487D+02  0.127106D+02 -0.149509D+02  0.232033D+02 -0.150410D+02
      5   0.114826D+02 -0.898350D+01  0.113628D+02 -0.131710D+02  0.831960D+01
      6  -0.500820D+01  0.561530D+01 -0.470309D+01  0.666227D+01 -0.431977D+01
               181           182           183           184           185 
      1   0.147995D+03 -0.179595D+02 -0.169829D+02 -0.266009D+02  0.144495D+02
      2  -0.751784D+02  0.931130D+01  0.838129D+01  0.131873D+02 -0.540373D+01
      3  -0.728163D+02  0.864816D+01  0.860161D+01  0.134137D+02 -0.904580D+01
      4  -0.137846D+02  0.132460D+02  0.161926D+01  0.177866D+02 -0.887439D+01
      5  -0.195324D+02  0.228190D+01  0.160108D+02  0.261130D+01 -0.614510D+01
      6   0.684005D+00 -0.108662D+01  0.131747D+01 -0.125334D+01 -0.407751D-01
               186           187           188           189           190 
      1   0.326182D+01 -0.193487D+02  0.248117D+01  0.169206D+02 -0.472821D+02
      2  -0.220112D+01  0.109349D+02 -0.216222D+01 -0.103064D+02  0.234108D+02
      3  -0.106071D+01  0.841384D+01 -0.318956D+00 -0.661424D+01  0.238713D+02
      4  -0.571353D+01  0.852148D+00 -0.530680D+01 -0.157105D+00 -0.457537D+01
      5  -0.681939D+00  0.233812D+02 -0.500526D+00 -0.454854D+01 -0.112011D+02
      6   0.241902D+01  0.128173D+00  0.262657D+01  0.752234D+00  0.616071D+01
               191           192           193           194           195 
      1   0.986185D+01  0.132473D+02  0.834905D+01 -0.817028D+01 -0.617534D+01
      2  -0.582236D+01 -0.199062D+01 -0.381020D+01  0.503788D+01  0.412436D+01
      3  -0.403949D+01 -0.112566D+02 -0.453884D+01  0.313240D+01  0.205098D+01
      4  -0.243449D+01 -0.114856D+01  0.187772D+01  0.351761D+01  0.554886D+01
      5  -0.111492D+01 -0.706047D+01 -0.621042D-01  0.460357D+01 -0.475361D+00
      6  -0.506647D+01 -0.634208D+01 -0.228734D+01  0.427175D+01  0.516290D+01
               196           197           198           199           200 
      1   0.975753D+01 -0.367051D+01 -0.989630D+01  0.332775D+02  0.213805D+02
      2  -0.191368D+01  0.214805D+01  0.105698D+01 -0.141635D+02 -0.554042D+01
      3  -0.784385D+01  0.152246D+01  0.883931D+01 -0.191140D+02 -0.158400D+02
      4   0.257559D+00  0.362574D+01 -0.165445D+01  0.341262D+02  0.320988D+02
      5   0.132851D+01 -0.158760D+01  0.301686D+01  0.268813D+02  0.171267D+02
      6  -0.371405D+01  0.414508D+01  0.219928D+01  0.126222D+02  0.116467D+02
               201           202           203           204           205 
      1   0.132471D+02  0.250185D+02  0.153609D+02  0.562881D+01  0.755680D+01
      2  -0.925032D+01 -0.612753D+01  0.325017D+01 -0.255660D+01 -0.636930D+01
      3  -0.399679D+01 -0.188910D+02 -0.186111D+02 -0.307221D+01 -0.118751D+01
      4   0.136719D+02  0.404605D+02  0.496887D+02  0.239115D+02  0.998237D+01
      5   0.218204D+02  0.239853D+02  0.280670D+02  0.208265D+02  0.184634D+02
      6   0.806555D+01  0.154324D+02  0.214696D+02  0.151010D+02  0.746429D+01
               206           207           208           209           210 
      1   0.185060D+01  0.690804D+01  0.106550D+02 -0.673550D+01  0.126561D+02
      2  -0.168090D+01 -0.571439D+01 -0.942112D+01  0.604193D+01 -0.113661D+02
      3  -0.169701D+00 -0.119365D+01 -0.123387D+01  0.693579D+00 -0.128993D+01
      4   0.127693D+02  0.121603D+02 -0.730243D+01  0.126139D+02 -0.571204D+01
      5   0.126511D+02  0.149572D+02  0.177716D+02 -0.812404D+01  0.191298D+02
      6   0.107932D+02  0.795218D+01 -0.159411D+01  0.434921D+01 -0.177406D+01
               211           212           213           214           215 
      1  -0.113470D+02  0.686845D+01 -0.364210D+01  0.108863D+02 -0.144083D+01
      2   0.105785D+02 -0.935610D+01  0.146120D+02 -0.119330D+02  0.103098D+02
      3   0.768530D+00  0.248765D+01 -0.109699D+02  0.104671D+01 -0.886899D+01
      4   0.136687D+02 -0.268918D+02  0.218985D+02 -0.586086D+01  0.164526D+02
      5  -0.153436D+02  0.250844D+02 -0.321550D+02  0.202317D+02 -0.199760D+02
      6   0.515503D+01 -0.123886D+02  0.961346D+01 -0.238449D+01  0.965507D+01
               216           217           218           219           220 
      1   0.258025D+01  0.102242D+01  0.188447D+01 -0.904842D+01 -0.131200D+01
      2  -0.199281D+02 -0.294614D+01  0.684549D+00  0.742439D+01  0.277584D+01
      3   0.173478D+02  0.192371D+01 -0.256902D+01  0.162403D+01 -0.146384D+01
      4  -0.181099D+02  0.277764D+01  0.675835D+01 -0.274810D+01  0.478504D+01
      5   0.377106D+02 -0.111521D+02 -0.102269D+01  0.146792D+02  0.140623D+01
      6  -0.796375D+01 -0.274188D+01 -0.138121D+01  0.203793D+01 -0.902294D+00
               221           222           223           224           225 
      1   0.891642D+00  0.155955D+00 -0.871882D+01  0.182317D+01 -0.117098D+02
      2  -0.198759D+01 -0.522671D+01  0.903424D+01 -0.399839D+01 -0.266472D+02
      3   0.109594D+01  0.507075D+01 -0.315417D+00  0.217522D+01  0.383570D+02
      4   0.617422D-01 -0.510995D+01 -0.495065D+01 -0.850320D+01  0.309063D+01
      5  -0.616577D+01 -0.109563D+02  0.179021D+02  0.219256D+01 -0.697989D+02
      6   0.784023D-01  0.313367D+01  0.452771D+01  0.733356D+01 -0.241301D+02
               226           227           228           229           230 
      1   0.266671D+02  0.203861D+02  0.169960D+01  0.187468D+02  0.103105D+02
      2  -0.196771D+00  0.525905D+01  0.212873D+00  0.811456D+01  0.280505D+02
      3  -0.264703D+02 -0.256451D+02 -0.191247D+01 -0.268613D+02 -0.383610D+02
      4   0.403912D+02  0.440997D+02 -0.168832D+01  0.468161D+02  0.690414D+02
      5  -0.409343D+01 -0.571291D+01  0.952321D+01 -0.578028D+01 -0.507610D+01
      6  -0.341148D+01 -0.502027D+01  0.540172D+01 -0.511390D+01 -0.880036D+01
               231           232           233           234           235 
      1  -0.455818D+00  0.662509D+01  0.169666D+01  0.368259D+01 -0.445654D+02
      2   0.869621D+00  0.390465D+00  0.503900D+01 -0.132686D+01  0.296897D+02
      3  -0.413802D+00 -0.701555D+01 -0.673566D+01 -0.235573D+01  0.148757D+02
      4  -0.165064D+01  0.772784D+01  0.126891D+02  0.780283D+01 -0.133346D+02
      5   0.688230D+01  0.775174D+01  0.627489D+01 -0.218377D+01  0.122225D+02
      6   0.639455D+01  0.437940D+01  0.492219D+01  0.510796D-01  0.107710D+00
               236           237           238           239           240 
      1   0.139785D+02  0.133082D+01  0.927287D+01 -0.112265D+02  0.362076D+00
      2  -0.136369D+02 -0.167100D+01 -0.799930D+01  0.128879D+02  0.235617D+00
      3  -0.341628D+00  0.340174D+00 -0.127357D+01 -0.166144D+01 -0.597693D+00
      4  -0.328885D+01  0.330430D+01  0.240911D+01  0.461643D+01  0.837711D+00
      5   0.493456D+00 -0.590050D+01 -0.135798D+01  0.281727D+01 -0.609732D+00
      6   0.331420D+01 -0.488984D+01  0.165813D+01 -0.131921D+01  0.945869D+00
               241           242           243           244           245 
      1   0.536088D+01 -0.276295D+01 -0.614572D+01  0.253217D+01  0.387554D+01
      2  -0.336258D+01  0.379511D+01  0.496449D+00 -0.404555D+01 -0.209870D+01
      3  -0.199830D+01 -0.103215D+01  0.564927D+01  0.151337D+01 -0.177684D+01
      4   0.141194D+01  0.376563D+01 -0.155926D+01  0.651424D+01  0.682611D+01
      5  -0.188037D+01 -0.476204D-01 -0.344128D+01 -0.112731D+02 -0.279981D+01
      6  -0.276808D+01  0.122326D+01 -0.746993D+00 -0.452021D+01 -0.735508D+00
               246           247           248           249           250 
      1  -0.606311D+01  0.448046D+01 -0.263488D+00  0.189849D+01 -0.773489D+01
      2   0.466393D+01 -0.214651D+01  0.115457D+01 -0.135969D+01  0.734909D+01
      3   0.139918D+01 -0.233396D+01 -0.891084D+00 -0.538802D+00  0.385800D+00
      4  -0.383467D+01  0.103034D+02  0.643641D+01 -0.784166D+01 -0.580130D+01
      5   0.123693D+02 -0.362195D+01 -0.805642D+01  0.106683D+02  0.162450D+02
      6   0.262695D+01 -0.218497D+01 -0.605696D+01  0.810892D+01  0.423936D+01
               251           252           253           254           255 
      1   0.212295D+01 -0.446051D+01 -0.857876D+02 -0.432815D+01  0.851533D+01
      2   0.750331D+00 -0.957348D+01  0.435325D+02  0.101412D+02 -0.583712D+01
      3  -0.287328D+01  0.140340D+02  0.422551D+02 -0.581310D+01 -0.267821D+01
      4  -0.101974D+02  0.107232D+02 -0.923410D+01  0.249738D+02  0.108488D+02
      5   0.947068D+01 -0.352510D+02  0.121722D+02  0.789903D+01  0.142052D+02
      6   0.757438D+01 -0.129411D+02  0.915231D+01  0.598404D+01  0.513077D+01
               256           257           258           259           260 
      1   0.154130D+02  0.352468D+02  0.288751D+01  0.289798D+02  0.333930D+01
      2  -0.398049D+01 -0.393543D+02 -0.678613D+01 -0.126734D+02 -0.300679D+01
      3  -0.114325D+02  0.410749D+01  0.389862D+01 -0.163064D+02 -0.332515D+00
      4   0.270620D+02 -0.282992D+02  0.556212D+01  0.201148D+02  0.144212D+02
      5   0.118304D+02  0.832371D+01  0.179183D+02  0.201862D+02  0.194863D+02
      6   0.623584D+01 -0.412854D+01  0.599006D+01  0.851059D+01  0.794667D+01
               261           262           263           264           265 
      1   0.157761D+02  0.643655D+01 -0.767347D+01  0.227440D+01 -0.646743D+01
      2   0.583721D+01  0.164675D+01 -0.957267D+00 -0.133127D+00 -0.765561D+01
      3  -0.216133D+02 -0.808330D+01  0.863074D+01 -0.214128D+01  0.141230D+02
      4   0.229385D+02 -0.130864D+02  0.166109D+02 -0.351607D+01  0.264966D+02
      5  -0.198372D+02  0.462912D+01 -0.384486D+01  0.329604D+01 -0.681307D+01
      6  -0.331790D+01 -0.303449D+01  0.285433D+01 -0.133472D+01  0.543426D+01
               266           267           268           269           270 
      1  -0.506281D+01  0.703518D+00  0.398438D+00  0.100225D+01 -0.660111D+00
      2   0.319559D+02 -0.516030D+01 -0.179166D+01  0.306595D+01  0.142985D+01
      3  -0.268931D+02  0.445678D+01  0.139323D+01 -0.406821D+01 -0.769743D+00
      4  -0.573904D+02  0.115805D+02  0.160736D+01 -0.309699D+01 -0.405373D+01
      5   0.125770D+02 -0.987875D+01  0.296702D+01 -0.407717D+01  0.384819D+01
      6  -0.133999D+02  0.740015D+01 -0.170802D+01  0.435704D+01 -0.268859D+01
               271           272           273           274           275 
      1   0.491208D+01 -0.970993D+00  0.590433D+01 -0.752928D+01 -0.653051D+01
      2  -0.594758D+01 -0.771738D+00 -0.219693D+01  0.359098D+01  0.307990D+01
      3   0.103550D+01  0.174273D+01 -0.370740D+01  0.393831D+01  0.345061D+01
      4  -0.231593D+01 -0.366131D+01  0.121005D-01 -0.360156D+01 -0.372746D+01
      5   0.360359D+01 -0.162778D+01  0.198091D+00 -0.425670D+01  0.386207D+01
      6  -0.368347D+00 -0.149176D+01 -0.104191D+01 -0.845274D+00 -0.397022D+00
               276           277           278           279           280 
      1  -0.358063D+00  0.102452D+02 -0.887152D-01 -0.119578D+02  0.132896D+03
      2   0.492008D+01 -0.676588D+01  0.419095D+01 -0.158733D+02 -0.635660D+02
      3  -0.456201D+01 -0.347937D+01 -0.410224D+01  0.278311D+02 -0.693300D+02
      4   0.424375D+01  0.434741D+01  0.820120D+01 -0.382143D+01  0.404494D+02
      5  -0.928450D+01  0.100999D+02 -0.279688D+01  0.440271D+02  0.971481D+01
      6   0.125521D+01  0.147787D+01  0.357697D+01  0.125743D+02 -0.102184D+01
               281           282           283           284           285 
      1   0.918798D+01 -0.161824D+01 -0.711236D+01  0.780751D+01 -0.134089D+00
      2  -0.126819D+01 -0.922505D-01  0.639983D+01 -0.567019D+00  0.500831D+00
      3  -0.791979D+01  0.171049D+01  0.712538D+00 -0.724050D+01 -0.366743D+00
      4   0.171157D+02  0.665475D+00  0.130941D+02  0.604998D+01 -0.117282D+01
      5   0.135573D+01  0.129635D+02 -0.133679D+01 -0.798567D+00 -0.253429D+01
      6   0.165672D+01  0.349576D+01  0.657206D+00  0.371833D+00  0.104098D+00
               286           287           288           289           290 
      1  -0.165899D+02 -0.143273D+01  0.951712D+01  0.183255D+01  0.132768D+02
      2   0.672028D+01 -0.157381D+00 -0.701652D+01  0.252173D+01 -0.129218D+02
      3   0.986964D+01  0.159011D+01 -0.250060D+01 -0.435428D+01 -0.354981D+00
      4  -0.667805D+01 -0.464871D+01  0.107498D+01  0.478440D+01 -0.534328D+01
      5   0.129064D+02 -0.844219D+00 -0.501075D+00 -0.192765D+01 -0.421740D+00
      6   0.327556D+01  0.553907D+00 -0.546543D+00 -0.127836D+00 -0.250734D+01
               291           292           293           294           295 
      1  -0.408974D-01  0.106653D+02 -0.316330D+02 -0.272305D+01 -0.431773D+01
      2  -0.556654D-01 -0.343522D+01  0.540394D+02  0.299472D+01  0.138111D+01
      3   0.965629D-01 -0.723011D+01 -0.224063D+02 -0.271670D+00  0.293662D+01
      4  -0.206697D+01  0.115412D+02  0.605044D+02  0.579599D+01 -0.309463D+01
      5  -0.261612D+01  0.285819D+01  0.323255D+01  0.688241D+01 -0.175530D+00
      6  -0.229968D+01  0.594377D+00  0.116357D+02  0.749621D+01 -0.319671D+00
               296           297 
      1  -0.112857D+01 -0.598451D+01
      2  -0.145542D+01  0.441335D+01
      3   0.258399D+01  0.157117D+01
      4  -0.359154D+01  0.414487D+01
      5   0.509478D+01  0.247511D+01
      6   0.705308D+01  0.143451D+01
 Leave Link  716 at Wed Sep 29 16:08:43 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.211166D+03 -0.819861D+00 -0.734568D+00
      2  -0.819861D+00  0.138856D+03 -0.655259D+01
      3  -0.734568D+00 -0.655259D+01  0.157587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.337291D+01 -0.805541D+01  0.223977D+02
      2   0.111713D+02 -0.932022D+01  0.481288D+02
      3  -0.119073D+03 -0.393944D+02  0.125537D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.171699D+03  0.563040D+02 -0.283049D+01
      2  -0.922578D+02 -0.339015D+02  0.173618D+02
      3  -0.794417D+02 -0.224025D+02 -0.145313D+02
      4  -0.267107D+02  0.769257D+02 -0.266665D+02
      5  -0.570562D+01 -0.292600D+02  0.103581D+03
      6  -0.113725D+02  0.138191D+02 -0.285003D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.848820D+01  0.551080D+00  0.869355D+00 -0.171610D+01  0.150199D+01
      2   0.551080D+00  0.205899D+01 -0.666559D+00  0.150199D+01 -0.342598D+01
      3   0.869355D+00 -0.666559D+00  0.283083D+01  0.175293D+01  0.210700D+01
                 6             7             8             9            10 
      1   0.175293D+01  0.120050D+02  0.152901D+01 -0.860025D+00  0.286952D+02
      2   0.210700D+01  0.152901D+01  0.102928D+00  0.143119D+01  0.167065D+01
      3   0.967255D+00 -0.860025D+00  0.143119D+01  0.840032D+00 -0.125627D+01
                11            12            13            14            15 
      1   0.167065D+01 -0.125627D+01 -0.322589D+00  0.419152D+01  0.113459D+01
      2   0.208362D+01 -0.635033D+00  0.419152D+01 -0.110556D+01 -0.764882D-01
      3  -0.635033D+00  0.294998D+01  0.113459D+01 -0.764882D-01 -0.796052D+00
                16            17            18            19            20 
      1  -0.282213D+01  0.890085D+00  0.119654D+01  0.113896D+02 -0.523298D+00
      2   0.890085D+00  0.298139D+00 -0.108284D+01 -0.523298D+00 -0.257471D+01
      3   0.119654D+01 -0.108284D+01 -0.517835D+00 -0.115278D+01  0.136986D+01
                21            22            23            24            25 
      1  -0.115278D+01 -0.402823D+01 -0.152923D+01 -0.210051D+00  0.100794D+02
      2   0.136986D+01 -0.152923D+01 -0.272477D+01  0.235451D+01 -0.152659D+01
      3  -0.163801D+01 -0.210051D+00  0.235451D+01  0.190387D+01  0.252069D+00
                26            27            28            29            30 
      1  -0.152659D+01  0.252069D+00 -0.257263D+02  0.172484D+00  0.797724D+00
      2   0.138397D+01  0.137897D+01  0.172484D+00 -0.181810D+01  0.254060D+00
      3   0.137897D+01  0.162273D+01  0.797724D+00  0.254060D+00 -0.280316D+01
                31            32            33            34            35 
      1   0.253076D+01 -0.452609D+01 -0.145220D+01  0.285262D+01 -0.141024D+01
      2  -0.452609D+01  0.693911D+00  0.471459D+00 -0.141024D+01  0.457341D-01
      3  -0.145220D+01  0.471459D+00  0.668505D-01 -0.625566D+00 -0.969756D+00
                36            37            38            39            40 
      1  -0.625566D+00  0.807696D+01 -0.693109D+00 -0.615441D+00  0.334442D+01
      2  -0.969756D+00 -0.693109D+00 -0.110687D+01 -0.626834D+00 -0.158954D+01
      3   0.414769D+00 -0.615441D+00 -0.626834D+00 -0.298247D+01 -0.110096D+01
                41            42            43            44            45 
      1  -0.158954D+01 -0.110096D+01 -0.120482D+02  0.111381D+00  0.626996D+00
      2   0.232847D+01 -0.217697D+01  0.111381D+00 -0.110178D+01 -0.867528D+00
      3  -0.217697D+01 -0.119564D+01  0.626996D+00 -0.867528D+00 -0.132185D+01
                46            47            48            49            50 
      1  -0.103166D+02  0.570921D+00  0.815849D+00  0.520763D+01  0.207103D+01
      2   0.570921D+00  0.119621D+01  0.107979D+00  0.207103D+01  0.177021D+01
      3   0.815849D+00  0.107979D+00  0.155185D+01 -0.366744D+00 -0.280830D+01
                51            52            53            54            55 
      1  -0.366744D+00 -0.929396D+01  0.352655D+00 -0.452606D+00 -0.132105D+02
      2  -0.280830D+01  0.352655D+00 -0.156600D+01 -0.993187D+00 -0.289860D+01
      3  -0.212180D+01 -0.452606D+00 -0.993187D+00 -0.158414D+01 -0.524293D+00
                56            57            58            59            60 
      1  -0.289860D+01 -0.524293D+00 -0.672482D+01 -0.729967D+01 -0.367468D+00
      2  -0.416429D+01 -0.751311D-01 -0.729967D+01  0.661738D-01 -0.207014D+01
      3  -0.751311D-01 -0.168052D+01 -0.367468D+00 -0.207014D+01  0.191704D+01
                61            62            63            64            65 
      1  -0.161425D+01 -0.486789D+00 -0.335972D+01 -0.517850D+01  0.468818D+01
      2  -0.486789D+00 -0.265631D+01  0.316174D+01  0.468818D+01  0.338318D+01
      3  -0.335972D+01  0.316174D+01  0.465331D+01  0.245979D+01 -0.250370D+00
                66            67            68            69            70 
      1   0.245979D+01  0.128336D+02  0.535180D+01 -0.615315D-01  0.508994D+01
      2  -0.250370D+00  0.535180D+01  0.192389D+01  0.333772D+01  0.599285D+00
      3   0.975926D+00 -0.615315D-01  0.333772D+01 -0.294626D+01  0.241107D+00
                71            72            73            74            75 
      1   0.599285D+00  0.241107D+00  0.318198D+01 -0.356240D+01 -0.258569D+01
      2   0.338606D+01 -0.270934D+01 -0.356240D+01 -0.356696D+01 -0.186122D+00
      3  -0.270934D+01 -0.436044D+01 -0.258569D+01 -0.186122D+00 -0.164875D+01
                76            77            78            79            80 
      1  -0.509477D+01 -0.467996D+01 -0.360093D-01 -0.296155D+01  0.239300D+00
      2  -0.467996D+01 -0.140630D+01 -0.440751D+01  0.239300D+00 -0.318963D+01
      3  -0.360093D-01 -0.440751D+01  0.301104D+01 -0.484634D+00  0.267221D+01
                81            82            83            84            85 
      1  -0.484634D+00  0.367227D+01 -0.403315D+01 -0.132836D+01 -0.549127D+01
      2   0.267221D+01 -0.403315D+01 -0.400851D+01  0.357477D+00 -0.394422D+01
      3   0.243858D+01 -0.132836D+01  0.357477D+00 -0.104323D+01 -0.192489D+00
                86            87            88            89            90 
      1  -0.394422D+01 -0.192489D+00 -0.192443D+01 -0.835151D+00 -0.819765D+00
      2  -0.277096D+01 -0.245383D+01 -0.835151D+00 -0.327224D+01  0.212222D+01
      3  -0.245383D+01  0.319992D+01 -0.819765D+00  0.212222D+01  0.617455D+01
                91            92            93            94            95 
      1   0.477065D+01  0.193793D+01  0.184505D+01 -0.202538D+01  0.537868D+01
      2   0.193793D+01  0.187401D+01  0.412823D+00  0.537868D+01 -0.369902D+01
      3   0.184505D+01  0.412823D+00  0.164266D+01  0.135532D+01  0.480182D+00
                96            97            98            99           100 
      1   0.135532D+01  0.321975D+01  0.185425D+01  0.251704D+01 -0.318063D-01
      2   0.480182D+00  0.185425D+01  0.600582D+00  0.268265D+01 -0.768863D+00
      3   0.222107D+01  0.251704D+01  0.268265D+01 -0.331828D+01 -0.136506D+01
               101           102           103           104           105 
      1  -0.768863D+00 -0.136506D+01  0.540320D+00 -0.775021D+00  0.112559D+01
      2  -0.246836D+00  0.694158D+00 -0.775021D+00  0.285954D+01 -0.173145D+01
      3   0.694158D+00  0.316772D+00  0.112559D+01 -0.173145D+01 -0.245530D+01
               106           107           108           109           110 
      1  -0.325066D+01  0.124528D+01  0.100772D+01 -0.221951D+01  0.177932D+01
      2   0.124528D+01 -0.279711D+01 -0.325292D+01  0.177932D+01 -0.786993D+00
      3   0.100772D+01 -0.325292D+01 -0.214035D+01  0.313385D+01 -0.755150D+00
               111           112           113           114           115 
      1   0.313385D+01  0.236424D+01 -0.257714D+01 -0.158264D+01  0.521370D+01
      2  -0.755150D+00 -0.257714D+01  0.465981D+01  0.388642D+01 -0.246594D+01
      3  -0.123299D+01 -0.158264D+01  0.388642D+01  0.320648D+01 -0.295221D+01
               116           117           118           119           120 
      1  -0.246594D+01 -0.295221D+01  0.260739D+00 -0.292531D+00 -0.143124D+01
      2   0.434529D+01  0.406244D+01 -0.292531D+00  0.161206D+01 -0.120314D+00
      3   0.406244D+01  0.873777D+01 -0.143124D+01 -0.120314D+00 -0.983908D-01
               121           122           123           124           125 
      1  -0.137081D+01  0.254750D+01 -0.356951D+00 -0.319189D+01  0.909432D+00
      2   0.254750D+01 -0.613043D+01 -0.302377D+00  0.909432D+00 -0.173451D+01
      3  -0.356951D+00 -0.302377D+00 -0.254198D+00 -0.921141D+00  0.140026D+01
               126           127           128           129           130 
      1  -0.921141D+00  0.373223D+01 -0.913848D+00  0.253173D+01 -0.149902D+01
      2   0.140026D+01 -0.913848D+00  0.970701D+00 -0.941215D+00  0.767947D+00
      3  -0.396669D+01  0.253173D+01 -0.941215D+00  0.215571D+01 -0.126610D+01
               131           132           133           134           135 
      1   0.767947D+00 -0.126610D+01  0.256409D+01 -0.117448D+01  0.286403D+01
      2  -0.829570D+00  0.966194D+00 -0.117448D+01  0.165718D+01 -0.205167D+01
      3   0.966194D+00 -0.200039D+01  0.286403D+01 -0.205167D+01  0.495447D+01
               136           137           138           139           140 
      1  -0.211785D+01 -0.637122D+00  0.208940D+01 -0.401333D+00 -0.196174D+00
      2  -0.637122D+00 -0.374053D+00  0.625472D+00 -0.196174D+00 -0.522333D+00
      3   0.208940D+01  0.625472D+00 -0.216905D+01  0.690481D+00  0.807710D+00
               141           142           143           144           145 
      1   0.690481D+00  0.206435D+01  0.970130D+00 -0.265792D+01 -0.438196D+01
      2   0.807710D+00  0.970130D+00  0.156424D+01 -0.230484D+01  0.109072D+01
      3  -0.222790D+01 -0.265792D+01 -0.230484D+01  0.723526D+01 -0.211263D+01
               146           147           148           149           150 
      1   0.109072D+01 -0.211263D+01  0.160920D+01 -0.707361D+00  0.114881D+01
      2  -0.784205D+00  0.597157D+00 -0.707361D+00  0.660629D+00 -0.604572D+00
      3   0.597157D+00 -0.182513D+01  0.114881D+01 -0.604572D+00  0.177700D+01
               151           152           153           154           155 
      1  -0.239653D+01  0.850243D+00 -0.267888D+01  0.225904D+01  0.734553D+00
      2   0.850243D+00 -0.111266D+01  0.143374D+01  0.734553D+00  0.386890D+00
      3  -0.267888D+01  0.143374D+01 -0.474416D+01 -0.200013D+01 -0.332376D+00
               156           157           158           159           160 
      1  -0.200013D+01  0.374956D+00  0.251821D+00 -0.589561D+00 -0.225852D+01
      2  -0.332376D+00  0.251821D+00  0.401596D+00 -0.574204D+00 -0.832362D+00
      3   0.200129D+01 -0.589561D+00 -0.574204D+00  0.190663D+01  0.275289D+01
               161           162           163           164           165 
      1  -0.832362D+00  0.275289D+01  0.164289D+01 -0.534298D+00 -0.176282D+01
      2  -0.110100D+01  0.144366D+01 -0.534298D+00  0.971241D+00  0.549514D+00
      3   0.144366D+01 -0.719166D+01 -0.176282D+01  0.549514D+00  0.145427D+01
               166           167           168           169           170 
      1   0.856095D+00  0.159178D+01  0.567461D+00 -0.441233D+01  0.740444D+00
      2   0.159178D+01 -0.130797D+01 -0.133124D+01  0.740444D+00 -0.188683D+01
      3   0.567461D+00 -0.133124D+01 -0.143768D+01  0.298793D+01 -0.263050D+01
               171           172           173           174           175 
      1   0.298793D+01  0.322418D+01 -0.192996D+01  0.115838D+01 -0.254271D+01
      2  -0.263050D+01 -0.192996D+01  0.241244D+01 -0.447824D+00  0.327385D+01
      3  -0.660534D+01  0.115838D+01 -0.447824D+00  0.690340D+00 -0.636095D+00
               176           177           178           179           180 
      1   0.327385D+01 -0.636095D+00  0.424834D+01 -0.938476D+00  0.133496D+01
      2  -0.555287D+01  0.154956D+01 -0.938476D+00  0.277790D+01 -0.174037D+01
      3   0.154956D+01 -0.116737D+01  0.133496D+01 -0.174037D+01  0.105307D+01
               181           182           183           184           185 
      1   0.136740D+02 -0.155421D+01 -0.160683D+01 -0.318046D+01  0.120084D+01
      2  -0.155421D+01  0.112158D+01  0.201117D+00  0.120084D+01 -0.104780D+01
      3  -0.160683D+01  0.201117D+00  0.133621D+01  0.172045D+00 -0.674897D+00
               186           187           188           189           190 
      1   0.172045D+00 -0.215132D+01  0.494443D-01  0.195814D+01 -0.682131D+01
      2  -0.674897D+00  0.494443D-01 -0.735624D+00  0.107789D+00  0.439147D+00
      3  -0.728947D-01  0.195814D+01  0.107789D+00 -0.272278D+00  0.728714D+00
               191           192           193           194           195 
      1   0.439147D+00  0.728714D+00  0.413967D+00 -0.708743D+00 -0.676854D+00
      2  -0.121956D+01 -0.752305D+00 -0.708743D+00  0.927363D+00  0.849400D+00
      3  -0.752305D+00 -0.189595D+01 -0.676854D+00  0.849400D+00  0.348957D+00
               196           197           198           199           200 
      1   0.719520D+00 -0.416975D+00 -0.921073D+00  0.420606D+01  0.319727D+01
      2  -0.416975D+00  0.629465D+00  0.827440D-01  0.319727D+01  0.301333D+01
      3  -0.921073D+00  0.827440D-01  0.102997D+01  0.219048D+01  0.130351D+01
               201           202           203           204           205 
      1   0.219048D+01  0.390832D+01  0.394932D+01  0.187366D+01  0.129072D+01
      2   0.130351D+01  0.394932D+01  0.541701D+01  0.269931D+01  0.923146D+00
      3   0.188544D+01  0.187366D+01  0.269931D+01  0.205267D+01  0.157545D+01
               206           207           208           209           210 
      1   0.923146D+00  0.157545D+01  0.128355D+01 -0.708458D+00  0.167674D+01
      2   0.142652D+01  0.125004D+01 -0.708458D+00  0.127656D+01 -0.657138D+00
      3   0.125004D+01  0.138086D+01  0.167674D+01 -0.657138D+00  0.162777D+01
               211           212           213           214           215 
      1  -0.139860D+01  0.132664D+01 -0.125440D+01  0.163918D+01 -0.681658D+00
      2   0.132664D+01 -0.333905D+01  0.264313D+01 -0.681658D+00  0.210720D+01
      3  -0.125440D+01  0.264313D+01 -0.357987D+01  0.165828D+01 -0.222035D+01
               216           217           218           219           220 
      1   0.165828D+01  0.311792D+00  0.377717D+00 -0.122764D+01 -0.145959D-01
      2  -0.222035D+01  0.377717D+00  0.613382D+00 -0.965791D-01  0.415907D+00
      3   0.423691D+01 -0.122764D+01 -0.965791D-01  0.112932D+01  0.688667D-01
               221           222           223           224           225 
      1   0.415907D+00  0.688667D-01 -0.150711D+01 -0.303855D+00  0.142132D+01
      2  -0.984267D-01 -0.746496D+00 -0.303855D+00 -0.127459D+01  0.270935D+00
      3  -0.746496D+00 -0.128745D+01  0.142132D+01  0.270935D+00 -0.911210D+01
               226           227           228           229           230 
      1   0.372252D+01  0.374142D+01 -0.567820D-01  0.358281D+01  0.444631D+01
      2   0.374142D+01  0.415973D+01 -0.262808D+00  0.444631D+01  0.768261D+01
      3  -0.567820D-01 -0.262808D+00  0.965183D+00 -0.185951D+00 -0.126842D+00
               231           232           233           234           235 
      1  -0.185951D+00  0.950128D+00  0.704484D+00  0.868445D+00 -0.706914D+01
      2  -0.126842D+00  0.704484D+00  0.150606D+01  0.747975D+00  0.663395D+00
      3   0.715511D+00  0.868445D+00  0.747975D+00 -0.242745D+00  0.611204D+00
               236           237           238           239           240 
      1   0.663395D+00  0.611204D+00  0.522238D+00 -0.129331D+01  0.232649D+00
      2  -0.209252D+01  0.370811D+00 -0.129331D+01  0.140322D+01  0.228159D+00
      3   0.370811D+00 -0.107583D+01  0.232649D+00  0.228159D+00  0.125931D+00
               241           242           243           244           245 
      1   0.810765D+00 -0.635741D-01 -0.555266D+00 -0.416461D-01 -0.897115D+00
      2  -0.635741D-01  0.697428D+00  0.118085D+00 -0.897115D+00 -0.650746D+00
      3  -0.555266D+00  0.118085D+00 -0.423101D+00  0.129422D+01  0.258454D+00
               246           247           248           249           250 
      1   0.129422D+01 -0.125237D+01 -0.115778D+01  0.392149D+00  0.256130D+01
      2   0.258454D+00 -0.115778D+01 -0.901137D+00  0.123948D+01  0.384239D+00
      3  -0.120772D+01  0.392149D+00  0.123948D+01 -0.151945D+01 -0.186721D+01
               251           252           253           254           255 
      1   0.384239D+00 -0.186721D+01  0.807373D+01 -0.122109D+01 -0.221086D+01
      2   0.147375D+01 -0.136412D+01 -0.122109D+01 -0.320953D+01 -0.105865D+01
      3  -0.136412D+01  0.528308D+01 -0.221086D+01 -0.105865D+01 -0.159433D+01
               256           257           258           259           260 
      1  -0.414830D+01 -0.276890D+01 -0.128931D+01 -0.659521D+01 -0.147264D+01
      2  -0.276890D+01  0.523822D+01 -0.438495D+00 -0.147264D+01 -0.180149D+01
      3  -0.128931D+01 -0.438495D+00 -0.244499D+01 -0.210222D+01 -0.246576D+01
               261           262           263           264           265 
      1  -0.210222D+01 -0.113193D+01  0.136085D+01 -0.546648D+00  0.228132D+01
      2  -0.246576D+01  0.136085D+01 -0.157105D+01  0.384765D+00 -0.316452D+01
      3   0.290053D+01 -0.546648D+00  0.384765D+00 -0.418024D+00  0.758027D+00
               266           267           268           269           270 
      1  -0.316452D+01  0.758027D+00 -0.647520D-01 -0.211911D+00 -0.316903D+00
      2   0.838320D+01 -0.166588D+01 -0.211911D+00  0.340490D+00  0.595774D+00
      3  -0.166588D+01  0.149559D+01 -0.316903D+00  0.595774D+00 -0.616854D+00
               271           272           273           274           275 
      1  -0.118708D+00  0.508318D+00 -0.570922D+00  0.145516D+01  0.350866D+00
      2   0.508318D+00  0.518963D+00  0.184113D+00  0.350866D+00  0.390297D+00
      3  -0.570922D+00  0.184113D+00  0.388245D+00  0.339431D+00 -0.673358D+00
               276           277           278           279           280 
      1   0.339431D+00 -0.181200D+01 -0.184917D+00 -0.683980D+00 -0.151985D+02
      2  -0.673358D+00 -0.184917D+00 -0.111932D+01  0.373193D+00 -0.146132D+01
      3   0.123135D+01 -0.683980D+00  0.373193D+00 -0.618946D+01 -0.105846D+00
               281           282           283           284           285 
      1  -0.146132D+01 -0.105846D+00  0.921826D+00 -0.119758D+01  0.137156D+00
      2  -0.123453D+01 -0.138333D+00 -0.119758D+01 -0.554844D+00  0.120925D+00
      3  -0.138333D+00 -0.101978D+01  0.137156D+00  0.120925D+00  0.384624D+00
               286           287           288           289           290 
      1   0.207313D+01  0.386468D+00 -0.112996D+01 -0.125011D+00 -0.854584D+00
      2   0.386468D+00  0.547295D+00  0.142384D+00 -0.854584D+00  0.175658D+01
      3  -0.112996D+01  0.142384D+00  0.721078D-01  0.257728D+00  0.331462D+00
               291           292           293           294           295 
      1   0.257728D+00 -0.153550D+01 -0.502570D+00 -0.123865D+00  0.922840D+00
      2   0.331462D+00 -0.502570D+00 -0.938912D+01 -0.878125D+00  0.266277D+00
      3   0.431542D+00 -0.123865D+00 -0.878125D+00 -0.102453D+01  0.126155D+00
               296           297 
      1   0.266277D+00  0.126155D+00
      2   0.458875D+00 -0.824830D+00
      3  -0.824830D+00 -0.420719D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.147684D+01  0.149918D+01  0.329580D+01  0.877850D+01  0.159002D+01
      2  -0.511218D+00 -0.223610D+01  0.364755D+01 -0.354419D+01 -0.180738D+01
      3   0.146725D+02 -0.136734D+01 -0.104574D+01  0.128495D+02  0.185185D+01
                 6             7             8             9            10 
      1  -0.219411D+01  0.225840D+01  0.375919D+01  0.181857D+00 -0.262631D+01
      2   0.705897D+00 -0.446776D+01  0.567924D+00  0.131391D+00  0.136434D-03
      3  -0.493263D+01 -0.131566D+02 -0.262832D+01 -0.718247D+00 -0.362269D+02
                11            12            13            14            15 
      1  -0.740420D+00  0.170820D+01  0.207378D+01  0.418194D+01 -0.892136D+01
      2   0.624947D+00 -0.188669D+01  0.400471D+01  0.575965D+00 -0.159767D+00
      3  -0.195285D+01  0.130174D+01  0.103937D+02 -0.229330D+01 -0.869557D+00
                16            17            18            19            20 
      1  -0.347268D+01 -0.308732D+01 -0.383592D+01 -0.184788D+01 -0.645551D+00
      2  -0.215136D+02 -0.146588D+01 -0.385596D+01 -0.158132D+01 -0.259123D+01
      3   0.214170D+00 -0.608361D+00 -0.122010D+01 -0.146120D+02 -0.452942D+00
                21            22            23            24            25 
      1  -0.185780D+01 -0.493524D+01  0.134030D+01  0.340708D+00 -0.846592D+00
      2   0.818691D+01 -0.239828D+01  0.159950D+01 -0.180229D+01 -0.726393D+01
      3   0.271292D+01  0.154084D+02 -0.816437D+00  0.254561D+01 -0.107730D+02
                26            27            28            29            30 
      1   0.395368D+01  0.216070D+01 -0.131931D-01  0.145820D+01 -0.237912D+01
      2  -0.767128D+00  0.108714D+01  0.314335D+01  0.788546D+00 -0.252042D+01
      3   0.365063D+01  0.153092D+01  0.306052D+02 -0.495170D+00 -0.193681D+01
                31            32            33            34            35 
      1  -0.141524D+00  0.417487D+01 -0.863980D+01 -0.533205D+01 -0.207392D+01
      2   0.336403D+01 -0.306072D+00  0.262172D+01 -0.234239D+02  0.436414D+01
      3   0.763079D+01  0.527003D+01  0.900066D+00 -0.635100D+01 -0.108929D+01
                36            37            38            39            40 
      1  -0.281507D+01  0.136427D+00  0.115359D+01 -0.157411D+01  0.518862D+01
      2   0.102651D+01 -0.438888D+01 -0.139155D+01  0.410239D+01 -0.355423D+01
      3   0.212327D+01 -0.112457D+02 -0.749451D+00  0.306078D+01  0.736919D+01
                41            42            43            44            45 
      1  -0.232573D+01 -0.351766D+01  0.386759D+01  0.214406D+01 -0.167552D+01
      2  -0.185074D+01  0.844943D+00 -0.217940D+01  0.151779D+00 -0.161170D+01
      3   0.128857D+01 -0.239130D+01  0.177848D+02 -0.158079D+01 -0.435214D+01
                46            47            48            49            50 
      1   0.142390D+01 -0.205089D+01  0.908939D+00 -0.705244D+01 -0.211967D+01
      2   0.367014D+01 -0.237266D+01  0.945592D+01 -0.193370D+01  0.188298D+01
      3   0.183579D+02 -0.208883D+01  0.277803D+01  0.721372D+01 -0.135785D+01
                51            52            53            54            55 
      1  -0.234382D+01 -0.132199D+01  0.252951D+01 -0.532718D-01  0.128902D+01
      2  -0.340237D+01 -0.472333D+01 -0.117810D+01  0.227622D+01 -0.656839D+01
      3   0.249498D+01  0.143257D+02  0.742109D+00  0.263388D+01  0.239804D+02
                56            57            58            59            60 
      1   0.158430D+01 -0.363266D+00  0.365239D+01 -0.319412D+01  0.262883D+01
      2  -0.590800D+00 -0.392786D+01 -0.372097D+01 -0.123111D+02  0.867418D+01
      3   0.137686D+02  0.893152D-01  0.412152D+02  0.105428D+02  0.848270D+01
                61            62            63            64            65 
      1  -0.928983D+00  0.854666D+01  0.420900D+01 -0.171852D+01  0.240551D-01
      2  -0.208798D+02  0.108451D+02  0.158745D+02  0.117105D+02 -0.272243D+00
      3   0.333631D+01  0.108292D+02 -0.618592D+01 -0.292555D+02 -0.175648D+02
                66            67            68            69            70 
      1  -0.920710D+00 -0.269675D+01 -0.237576D+01 -0.235896D+01  0.273267D+01
      2   0.765382D+01  0.391058D+01  0.156545D+02 -0.133115D+02 -0.140137D+01
      3   0.173531D+01 -0.270809D+02 -0.937395D+01 -0.137569D+02 -0.480393D+01
                71            72            73            74            75 
      1   0.572832D+01  0.216511D+01 -0.234730D+01 -0.676038D+01  0.785249D+00
      2  -0.115859D+02 -0.180261D+02 -0.185588D+02  0.556113D+01  0.237598D+01
      3  -0.146249D+02  0.949248D+01  0.184747D+02  0.981306D+01 -0.231129D+01
                76            77            78            79            80 
      1  -0.953971D+01  0.119737D+01 -0.147520D+02  0.101357D+01 -0.730567D+01
      2   0.711533D+01 -0.104234D+02  0.126615D+02  0.258449D+01  0.108828D+02
      3   0.182076D+02  0.268077D+01  0.170825D+02 -0.313689D+01  0.125873D+02
                81            82            83            84            85 
      1   0.352365D+01  0.609625D+01  0.450942D+01  0.178644D+01  0.579154D+01
      2   0.120646D+02  0.103575D+01 -0.404009D+01 -0.298817D+01 -0.702126D+01
      3  -0.109915D+02  0.256461D+02  0.456193D+01 -0.238943D+01  0.828243D+01
                86            87            88            89            90 
      1   0.941078D+01 -0.550548D+01  0.337758D+01  0.252842D+01 -0.166194D+02
      2  -0.141246D+02  0.124492D+02 -0.647225D+01  0.809040D+01  0.211330D+02
      3   0.242792D+01  0.100764D+02  0.820833D+00  0.119025D+02 -0.861664D+01
                91            92            93            94            95 
      1   0.164012D+01 -0.987335D+00  0.147410D+01  0.402467D+00 -0.153659D+01
      2  -0.102640D+02  0.227691D+00 -0.206695D+01 -0.591709D+00 -0.409535D+01
      3  -0.356601D+01  0.299442D+00 -0.915402D+00  0.322858D+02 -0.167944D+02
                96            97            98            99           100 
      1  -0.226784D+01  0.131438D+01  0.521686D+01 -0.225916D+00  0.141326D+01
      2  -0.963613D+01 -0.168192D+02 -0.967525D+01  0.115051D+02  0.516866D+01
      3  -0.113462D+01  0.155786D+01 -0.945291D+00  0.643276D+01  0.134359D+02
               101           102           103           104           105 
      1   0.152573D+01 -0.301819D+01  0.961865D+00 -0.148570D+01  0.121602D+01
      2  -0.379687D+01  0.796829D+01 -0.157327D+01  0.529037D+01  0.151869D+02
      3  -0.164445D+02  0.166998D+01 -0.799689D+01  0.151147D+01 -0.401933D+01
               106           107           108           109           110 
      1  -0.372783D+01  0.626532D-01  0.444084D+01 -0.350436D+01 -0.201462D+01
      2  -0.138841D+01  0.128790D+02  0.862154D+01 -0.842992D+01  0.232711D+01
      3   0.808659D+01 -0.922492D+01 -0.938975D+01 -0.636712D-01  0.165353D+00
               111           112           113           114           115 
      1   0.170418D+01 -0.179210D+01  0.358751D+01 -0.614234D+01  0.880278D+00
      2   0.389609D+01 -0.149008D+01 -0.106736D+02 -0.130698D+02  0.144592D+01
      3  -0.187744D+00 -0.302441D+01  0.185514D+02  0.121057D+02 -0.100698D+02
               116           117           118           119           120 
      1   0.583590D+01 -0.102661D+02  0.354733D+01 -0.582956D+00  0.424050D+00
      2  -0.122246D+02 -0.300397D+02  0.516208D+01 -0.650745D-01  0.176498D+01
      3   0.156209D+02  0.120312D+02 -0.278788D+01  0.406675D+01 -0.289555D+01
               121           122           123           124           125 
      1  -0.120984D+01  0.523836D+01 -0.186918D+01 -0.118259D+01  0.617746D+01
      2   0.103913D+01  0.324584D+01 -0.689792D+00 -0.111420D+01 -0.402082D+01
      3   0.764645D+01 -0.170586D+02 -0.195986D+01  0.287040D+01 -0.642318D+01
               126           127           128           129           130 
      1   0.762963D+01  0.352691D+01  0.155994D+01  0.295694D+01 -0.148058D+01
      2   0.146837D+02 -0.533275D+01 -0.106283D+00 -0.547147D+00  0.790365D+00
      3   0.506107D+01 -0.618695D+01 -0.113817D+01 -0.289370D+01  0.331488D+01
               131           132           133           134           135 
      1   0.456436D+00 -0.364347D+01  0.314205D+01  0.128712D+01  0.505558D+01
      2   0.124105D-01 -0.131075D+01 -0.272923D+01 -0.543978D+00  0.210036D+01
      3   0.412113D+00  0.820194D+00 -0.322481D+01 -0.153483D+01 -0.193310D+01
               136           137           138           139           140 
      1   0.217437D+01 -0.924566D+00 -0.251522D+01  0.110069D+01  0.303196D+00
      2   0.441979D+01  0.509984D+00 -0.130926D+01  0.467050D+00  0.114215D-01
      3   0.309674D+01  0.349973D-01 -0.231812D+01  0.183746D+01 -0.177358D+00
               141           142           143           144           145 
      1  -0.374303D+01 -0.197365D+01  0.211588D+01  0.626622D+01 -0.262656D+01
      2   0.653334D+00 -0.456158D+01 -0.479911D+00 -0.481707D+00 -0.980134D+01
      3  -0.837269D+00 -0.259772D+01  0.772916D+00  0.232450D+01  0.501837D+00
               146           147           148           149           150 
      1   0.325717D+01 -0.933617D+00  0.157855D+01 -0.159879D+01 -0.522760D+00
      2   0.169723D+01 -0.165419D+01  0.198634D+01 -0.992743D+00  0.327069D+00
      3  -0.152291D+01  0.821493D+00  0.887346D+00  0.108041D+01 -0.152120D+00
               151           152           153           154           155 
      1  -0.191996D+01  0.407402D+01 -0.321385D+01 -0.286300D+01 -0.239592D+01
      2  -0.425210D+01  0.365512D+00  0.216884D+00  0.529843D+01  0.153590D+01
      3   0.915106D+00 -0.246107D+01  0.173178D+01 -0.910399D+00 -0.104320D+01
               156           157           158           159           160 
      1   0.133991D+01 -0.771525D+00 -0.141994D+01 -0.156506D+00  0.340530D+01
      2  -0.150839D+01  0.659508D+00  0.259757D+00  0.318635D+00 -0.493695D+01
      3   0.100606D+01  0.105643D+01 -0.379568D+00  0.293773D+00  0.136619D+01
               161           162           163           164           165 
      1   0.542891D+01 -0.567751D+01 -0.131841D+01 -0.383494D+00  0.142675D+01
      2  -0.582894D+00 -0.196472D+01 -0.628864D+01  0.977178D+00  0.560969D+01
      3   0.229986D+01 -0.195391D+01 -0.924888D+00 -0.405495D+01  0.599796D+00
               166           167           168           169           170 
      1  -0.423820D-02 -0.421023D-01 -0.227043D+01  0.283685D+01  0.694972D+00
      2   0.187160D+01 -0.359829D+01 -0.498538D+01  0.524728D+01 -0.934435D+01
      3  -0.498354D+01  0.250455D+01  0.319821D+01  0.334080D+01  0.571603D+01
               171           172           173           174           175 
      1  -0.730029D+01  0.188853D+01 -0.138693D+01  0.175956D+01 -0.253901D+01
      2  -0.225489D+02  0.677138D+01 -0.263948D+01  0.483624D+01 -0.311152D+01
      3   0.449171D+01  0.263109D+01 -0.718743D+01  0.199337D+00 -0.558155D+01
               176           177           178           179           180 
      1   0.404946D+01 -0.474992D+01  0.197689D+01 -0.236746D+01  0.314636D+01
      2   0.793098D+01 -0.565235D+01  0.447042D+01 -0.727031D+01  0.472615D+01
      3   0.152852D+02 -0.425661D+01 -0.273519D+01 -0.903793D+01  0.421223D+01
               181           182           183           184           185 
      1   0.338141D+00 -0.512781D+00 -0.221291D+00  0.700860D-01  0.478370D+00
      2  -0.373398D+01  0.540888D+00  0.893865D+01 -0.122624D+00 -0.309073D+01
      3   0.637350D+01 -0.843762D+01 -0.858643D+00 -0.224712D+01  0.489321D+01
               186           187           188           189           190 
      1  -0.110334D+01 -0.571148D+00  0.100868D+01 -0.144876D+00 -0.166095D+01
      2   0.214733D-01  0.629515D+01  0.614671D+00 -0.637618D+00  0.208685D+02
      3   0.325784D+01  0.187089D+00  0.391429D+01 -0.727167D+00 -0.104077D+02
               191           192           193           194           195 
      1  -0.240485D+01  0.137193D+01 -0.154251D+01  0.264567D+00  0.289062D-01
      2  -0.337204D+01 -0.750815D+01 -0.265833D+01  0.531389D+01  0.213224D+01
      3   0.325756D+01  0.378965D+01  0.472807D+01 -0.339939D+01 -0.362314D+01
               196           197           198           199           200 
      1   0.873685D+00  0.204368D+01 -0.612690D+00  0.360756D+01  0.523006D+01
      2  -0.826061D+01  0.106962D+01  0.524669D+01  0.220849D+01  0.104380D+00
      3   0.241885D+01 -0.219466D+01 -0.143793D+01 -0.930623D+01 -0.115177D+02
               201           202           203           204           205 
      1  -0.572117D+00  0.581756D+01  0.794236D+01  0.391156D+00  0.918771D+00
      2   0.610068D+01 -0.170722D+00  0.487864D+01  0.678599D+01  0.256994D+01
      3  -0.360436D+01 -0.106572D+02 -0.200884D+02 -0.958672D+01 -0.183301D+01
               206           207           208           209           210 
      1   0.300904D+01  0.583951D+00 -0.260609D+01  0.321465D+01 -0.197770D+01
      2   0.303291D+01  0.343566D+01  0.568170D+01 -0.126966D+01  0.488187D+01
      3  -0.548800D+01 -0.389948D+01  0.276568D+01 -0.601234D+01  0.326598D+01
               211           212           213           214           215 
      1   0.290144D+01 -0.100204D+02  0.571832D+01 -0.234560D+01  0.820717D+01
      2  -0.107202D+01  0.905482D+01 -0.135069D+02  0.148269D+01 -0.815277D+01
      3  -0.341685D+01  0.145709D+02 -0.104180D+02  0.259174D+01 -0.886565D+01
               216           217           218           219           220 
      1  -0.637863D+01  0.173903D+01 -0.704313D+00 -0.163345D+01 -0.362660D+00
      2   0.146820D+02 -0.504341D+01 -0.294290D+00  0.330675D+01 -0.583914D+00
      3   0.913220D+01 -0.217844D+01 -0.256025D+01 -0.117805D+01 -0.512893D+00
               221           222           223           224           225 
      1   0.198856D+01  0.240222D+01 -0.166663D+01  0.507883D+01  0.166712D+02
      2  -0.231493D+01 -0.510229D+01 -0.369474D+00  0.231078D+00 -0.320952D+02
      3   0.140161D+01  0.233096D+01 -0.121775D+01  0.452835D+01 -0.770859D+00
               226           227           228           229           230 
      1  -0.437682D+01 -0.461394D+01 -0.308990D+01 -0.563118D+01 -0.893059D+01
      2   0.365066D+01  0.274027D+01  0.538339D+01  0.359535D+01  0.411663D+01
      3  -0.742754D+01 -0.111222D+02  0.132019D+01 -0.703034D+01 -0.225306D+02
               231           232           233           234           235 
      1  -0.396573D+01 -0.233639D+01 -0.190474D+01 -0.627222D+00 -0.763627D+00
      2   0.364426D+01  0.356556D+01  0.310531D+01 -0.433367D-01 -0.871800D+01
      3   0.355230D+00 -0.743206D+00 -0.508531D+01 -0.150267D+01 -0.219812D+02
               236           237           238           239           240 
      1   0.172465D+01  0.257128D+01  0.146628D+01 -0.147666D+01 -0.115445D+01
      2   0.206269D+01 -0.107848D+01  0.162969D+01 -0.116970D+01 -0.333510D+00
      3   0.684136D+01  0.632949D-02  0.730594D+01 -0.693245D+01 -0.685146D+00
               241           242           243           244           245 
      1   0.200409D+01  0.528159D+00  0.296494D+00  0.101272D+00 -0.395144D+00
      2  -0.334641D+01 -0.217803D+00 -0.211601D+01 -0.498517D+01 -0.468746D+00
      3   0.136162D+01 -0.259565D+01 -0.170533D+01 -0.294673D+01 -0.212270D+01
               246           247           248           249           250 
      1  -0.688365D+00 -0.826266D-01  0.198307D+00 -0.158022D+01 -0.732827D+00
      2   0.396315D+01  0.322884D-01 -0.328643D+01  0.515538D+01  0.113377D+01
      3   0.749097D-02 -0.937062D+00 -0.208224D+01  0.326229D+01 -0.101696D+01
               251           252           253           254           255 
      1   0.222541D+01  0.286010D+01 -0.205175D+01  0.796168D+00 -0.253703D+01
      2   0.435587D+01 -0.164529D+02  0.189990D+02  0.455109D+01  0.860702D+01
      3   0.429147D+01 -0.311469D+01 -0.164849D+02 -0.121266D+02 -0.484042D+00
               256           257           258           259           260 
      1  -0.117843D+01 -0.630170D+01 -0.587677D+01 -0.109610D+01 -0.736570D+00
      2   0.402696D+01  0.303173D+00  0.874014D+01  0.517484D+01  0.939831D+01
      3  -0.266784D+01  0.246248D+02  0.869934D+00  0.200075D+01 -0.244132D+01
               261           262           263           264           265 
      1   0.814247D+01 -0.468608D-02  0.695130D+00  0.628325D+00  0.116114D+01
      2  -0.161730D+02  0.109356D+01 -0.564149D+00  0.129272D+01 -0.109321D+01
      3  -0.677027D+01  0.295409D+01 -0.365753D+01  0.138728D+01 -0.601819D+01
               266           267           268           269           270 
      1  -0.415571D+01 -0.261050D+01 -0.173805D+00  0.855810D-01 -0.425009D+00
      2   0.406450D+01 -0.490041D+01  0.434749D+00 -0.156000D+01  0.154610D+01
      3   0.260356D+02 -0.500713D+01 -0.529379D+00  0.128977D+01  0.175062D+01
               271           272           273           274           275 
      1  -0.213580D+01 -0.834239D+00  0.509843D+00 -0.242796D+00 -0.295272D+01
      2   0.547944D+01  0.469470D+00 -0.247569D+01  0.161691D+01  0.356394D+01
      3   0.250592D+01  0.991233D+00  0.100096D+01  0.867066D+00  0.135096D+01
               276           277           278           279           280 
      1   0.200369D+01 -0.129876D+00  0.434182D+01 -0.105431D+02  0.867942D+00
      2  -0.533302D+01 -0.265149D+01 -0.248905D+01  0.249623D+02 -0.961119D+01
      3  -0.289977D+01  0.122929D+01 -0.405831D+01  0.302030D+01  0.155848D+02
               281           282           283           284           285 
      1   0.753921D+00 -0.177760D+01  0.956902D+00  0.586454D+00  0.207677D-01
      2  -0.150676D+00  0.772408D+01 -0.575200D+00 -0.123354D+01 -0.143051D+01
      3  -0.625816D+01 -0.766765D+00 -0.463806D+01 -0.486639D+00  0.443019D+00
               286           287           288           289           290 
      1  -0.190550D+01  0.870358D+00 -0.134693D+00  0.119836D+01 -0.647832D+00
      2   0.437580D+01 -0.837842D+00 -0.576528D+00 -0.926623D+00 -0.175442D+01
      3  -0.134121D+01  0.174860D+01  0.227990D+01 -0.466619D+01  0.665594D+01
               291           292           293           294           295 
      1   0.140799D+01 -0.316519D+00  0.620518D+01 -0.366203D+01  0.654692D+00
      2  -0.142372D+01 -0.894608D+00  0.351930D+01  0.370383D+01 -0.162409D+01
      3   0.311108D+00  0.389142D+01 -0.329156D+02 -0.235512D+01 -0.877667D+00
               296           297 
      1  -0.585276D+00 -0.622654D-01
      2   0.284469D+01  0.166958D+01
      3   0.993746D+00 -0.295912D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.800600D+01  0.112604D+02 -0.230405D+02 -0.183987D+01 -0.138658D+02
      2   0.193621D+01 -0.942863D+01  0.768787D+01 -0.696113D+01  0.229014D+02
      3   0.606979D+01 -0.183180D+01  0.153526D+02  0.880100D+01 -0.903559D+01
      4   0.113308D+02 -0.843382D+00  0.616575D+01  0.857760D+01 -0.655696D+01
      5  -0.138118D+02  0.540592D+01 -0.670864D+00  0.902071D+01  0.267956D+01
      6   0.456296D+01  0.472849D+01 -0.469611D+01 -0.714557D+00 -0.593782D+01
                 6             7             8             9            10 
      1   0.568059D+01  0.354668D+02 -0.260194D+01  0.108538D+02  0.483742D+02
      2  -0.116709D+02 -0.964858D+01 -0.187742D+01 -0.567319D+01 -0.226693D+02
      3   0.599028D+01 -0.258182D+02  0.447936D+01 -0.518066D+01 -0.257048D+02
      4   0.190995D+01 -0.399678D+01  0.173866D+01  0.692475D+01 -0.980982D+01
      5   0.702616D+01  0.589049D+01  0.684479D+01 -0.583214D+01 -0.759516D+01
      6   0.425616D+01  0.108187D+02 -0.256700D+01  0.732969D+01  0.213566D+01
                11            12            13            14            15 
      1   0.881891D+01 -0.165654D+01  0.144842D+02 -0.199769D+01  0.513221D+01
      2  -0.866264D+01  0.336626D+01 -0.138932D+02  0.711447D+01 -0.106245D+01
      3  -0.156273D+00 -0.170972D+01 -0.591026D+00 -0.511678D+01 -0.406976D+01
      4   0.250536D+01 -0.318470D+01  0.166109D+02 -0.653542D+01 -0.853659D+00
      5  -0.388522D+01  0.947832D+01  0.118767D+02  0.426859D+00 -0.384914D+01
      6   0.399361D+00 -0.727943D+01 -0.422720D+01  0.375327D+01  0.887947D+01
                16            17            18            19            20 
      1  -0.939663D+01  0.561433D+01 -0.198317D+02  0.887482D+01 -0.136034D+02
      2  -0.120627D+01  0.457014D+01  0.261665D+01  0.830265D+00  0.130823D+02
      3   0.106029D+02 -0.101845D+02  0.172150D+02 -0.970509D+01  0.521100D+00
      4   0.137123D+02 -0.681816D+00 -0.314186D+01 -0.960211D+01 -0.382503D-01
      5  -0.155216D+02 -0.392034D+01 -0.291772D+01  0.144649D+02  0.189282D+01
      6  -0.538164D+01  0.138492D+01 -0.443965D+01 -0.129751D+01 -0.576918D+01
                21            22            23            24            25 
      1   0.212303D+02  0.417898D+01 -0.113512D+02 -0.551282D+01 -0.161419D+02
      2  -0.121129D+02  0.443237D+01  0.180169D+02 -0.105970D+02  0.584252D+00
      3  -0.911738D+01 -0.861135D+01 -0.666571D+01  0.161098D+02  0.155576D+02
      4   0.265978D+01  0.138670D+02  0.639670D+01 -0.190020D+01 -0.409859D+01
      5  -0.110451D+02 -0.115048D+01 -0.103081D+01 -0.141389D+01  0.909804D+01
      6   0.618458D+01 -0.357316D+00 -0.745429D+01  0.555151D+01 -0.994942D+01
                26            27            28            29            30 
      1  -0.420399D+01  0.869898D+01  0.134602D+02 -0.315232D+01  0.252025D+01
      2  -0.416772D+01 -0.992912D+00 -0.278390D+01  0.700706D+01  0.454446D+00
      3   0.837171D+01 -0.770607D+01 -0.106763D+02 -0.385474D+01 -0.297469D+01
      4  -0.203229D+01 -0.591110D+01  0.191075D+02  0.230035D+01 -0.220223D+01
      5  -0.561864D+01  0.776148D+01  0.388861D+01 -0.187645D+01  0.755192D+01
      6   0.164841D+01  0.864325D+01  0.257027D+01 -0.671082D+00  0.514565D+01
                31            32            33            34            35 
      1  -0.245332D+01 -0.245872D+01  0.712526D+01 -0.740210D+01  0.865436D+01
      2   0.757073D+01  0.525247D+01 -0.179102D+01  0.155541D+01  0.351899D+01
      3  -0.511741D+01 -0.279375D+01 -0.533424D+01  0.584669D+01 -0.121733D+02
      4   0.128511D+02  0.100133D+01  0.121580D+01  0.105752D+02  0.484046D+01
      5   0.119844D+02  0.109021D+00  0.174365D+01 -0.183318D+02  0.337831D+01
      6  -0.137352D+01  0.357913D+01  0.608950D+01 -0.910848D+00  0.313088D+00
                36            37            38            39            40 
      1  -0.182452D+02 -0.311595D+01  0.388217D+01 -0.246703D+02 -0.862144D+01
      2   0.335884D+01 -0.101509D+01 -0.140589D+01  0.708165D+01 -0.199730D+01
      3   0.148864D+02  0.413103D+01 -0.247628D+01  0.175887D+02  0.106187D+02
      4   0.215725D+01  0.451594D+01 -0.111175D+01  0.316320D+01  0.398008D+01
      5   0.112785D+01 -0.180973D+02  0.293738D+01 -0.189134D+01  0.140251D+01
      6  -0.758435D+01  0.326832D+01  0.568299D+01  0.602931D+01  0.290126D+01
                41            42            43            44            45 
      1  -0.542726D+01 -0.567141D+01  0.210923D+02 -0.835555D+01  0.716635D+01
      2   0.593812D+01  0.263087D-01  0.322815D+00  0.136562D+01 -0.131770D+01
      3  -0.510863D+00  0.564511D+01 -0.214151D+02  0.698993D+01 -0.584865D+01
      4  -0.471627D+00  0.326016D+01  0.343790D+01  0.377538D+01  0.606133D+01
      5   0.124268D+01  0.727382D+01  0.114730D+02  0.541069D+01 -0.647345D+01
      6   0.287145D+01  0.839692D+01  0.105604D+02  0.289024D+01  0.110495D+02
                46            47            48            49            50 
      1   0.178557D+01 -0.719833D+01  0.208131D+02  0.128273D+02 -0.173200D+01
      2   0.618980D+01  0.301984D+01 -0.787844D+01 -0.321753D+01  0.318458D+01
      3  -0.797537D+01  0.417850D+01 -0.129346D+02 -0.960975D+01 -0.145259D+01
      4  -0.216534D+01  0.346105D+01 -0.188709D+01  0.935011D+01  0.497094D+01
      5   0.203856D+02 -0.283178D+00 -0.835771D+01 -0.872190D+01 -0.366556D+01
      6  -0.241280D+00 -0.398367D+01  0.477326D+00 -0.202897D+01  0.425475D+01
                51            52            53            54            55 
      1  -0.177103D+02 -0.216211D+02 -0.994615D+01  0.519618D+01 -0.265973D+02
      2   0.298453D+01  0.293914D+01  0.270451D+01  0.474088D+01  0.120585D+02
      3   0.147258D+02  0.186819D+02  0.724165D+01 -0.993706D+01  0.145388D+02
      4  -0.428565D+01  0.382515D+01 -0.259560D+01 -0.493533D+01 -0.770790D+01
      5  -0.266570D+01  0.944397D+01 -0.406648D+01  0.644689D+01 -0.576122D+01
      6   0.129698D+02 -0.586476D+01  0.670638D+01  0.137942D+02  0.124019D+01
                56            57            58            59            60 
      1  -0.109089D+02 -0.574309D+01 -0.343227D+02 -0.263917D+02  0.130875D+01
      2   0.785395D+01  0.503827D+00  0.246725D+02  0.651040D+01  0.639657D+01
      3   0.305498D+01  0.523927D+01  0.965023D+01  0.198813D+02 -0.770532D+01
      4  -0.308873D+02  0.272677D+00 -0.493561D+02  0.113097D+02 -0.161493D+02
      5  -0.236290D+00 -0.142281D+02 -0.112303D+01 -0.158774D+02  0.156160D+02
      6   0.460114D+00  0.191130D+01 -0.747408D-01  0.446077D+01 -0.598502D+01
                61            62            63            64            65 
      1  -0.146904D+02  0.127320D+01 -0.414986D+01 -0.963412D+02  0.314111D+02
      2  -0.201448D+01  0.756490D+01  0.681522D+01  0.521713D+02 -0.139462D+02
      3   0.167049D+02 -0.883810D+01 -0.266535D+01  0.441699D+02 -0.174649D+02
      4  -0.174177D+00 -0.205000D+02  0.288499D+02  0.303065D+02  0.269886D+02
      5  -0.260718D+02  0.251400D+02  0.364276D+02  0.247503D+02 -0.230190D+01
      6   0.119074D+02 -0.641137D+01 -0.115218D+02  0.106134D+01 -0.273812D+01
                66            67            68            69            70 
      1   0.244311D+02  0.641769D+02  0.263184D+02 -0.791535D+01  0.343727D+02
      2  -0.138755D+02 -0.293488D+02 -0.125151D+02  0.855517D+01 -0.139546D+02
      3  -0.105556D+02 -0.348281D+02 -0.138034D+02 -0.639817D+00 -0.204182D+02
      4  -0.119546D+01  0.326415D+02  0.114754D+02  0.243130D+02  0.223690D+01
      5   0.907753D+01 -0.164237D+01  0.258549D+02 -0.239644D+02  0.325431D+00
      6   0.214886D+01  0.175114D+01  0.671879D+01 -0.530974D+01 -0.302767D+01
                71            72            73            74            75 
      1  -0.464416D+01  0.460174D+01  0.387734D+02 -0.239789D+02 -0.195874D+02
      2   0.851365D+01 -0.209240D+01 -0.206500D+02  0.501774D+01  0.113109D+02
      3  -0.386949D+01 -0.250933D+01 -0.181235D+02  0.189612D+02  0.827651D+01
      4   0.227940D+02 -0.194807D+02 -0.228197D+02 -0.339662D+02 -0.632726D+01
      5  -0.201761D+02 -0.337870D+02 -0.117043D+02 -0.882345D+01 -0.199150D+02
      6  -0.612844D+01 -0.536786D+01 -0.157162D+02 -0.992441D+01 -0.109715D+01
                76            77            78            79            80 
      1  -0.317287D+02 -0.284817D+02 -0.103670D+01 -0.227266D+02  0.125227D+01
      2   0.636843D+01  0.182862D+02 -0.134268D+02  0.118201D+02 -0.130131D+02
      3   0.253602D+02  0.101955D+02  0.144635D+02  0.109066D+02  0.117609D+02
      4  -0.435613D+02 -0.152294D+02 -0.379742D+02 -0.172952D+01 -0.267061D+02
      5  -0.892793D+01 -0.451955D+02  0.242978D+02 -0.118879D+02  0.220092D+02
      6  -0.155478D+02 -0.715201D+01 -0.105400D+02  0.195795D+01 -0.869352D+01
                81            82            83            84            85 
      1  -0.116740D+02  0.393346D+02 -0.220477D+02 -0.119143D+02 -0.301508D+02
      2   0.172834D+01 -0.377151D+02 -0.803688D+00  0.551443D+01  0.440933D+00
      3   0.994568D+01 -0.161949D+01  0.228513D+02  0.639990D+01  0.297098D+02
      4   0.190925D+02 -0.185507D+02 -0.410804D+02 -0.195589D+00 -0.412056D+02
      5   0.128197D+02 -0.149509D+02  0.629688D+01 -0.632154D+01  0.368489D+01
      6   0.142776D+02  0.148827D+01  0.474144D+01 -0.337789D+01  0.312756D+01
                86            87            88            89            90 
      1  -0.273943D+02  0.886768D+01 -0.136140D+02  0.352141D+01 -0.433416D+00
      2  -0.920819D+00 -0.594742D+01  0.830586D+00 -0.740868D+01  0.253393D+02
      3   0.283151D+02 -0.292026D+01  0.127834D+02  0.388727D+01 -0.249059D+02
      4  -0.335854D+02 -0.152615D+02 -0.101857D+02 -0.232128D+02  0.121713D+02
      5  -0.130701D+02  0.238318D+02 -0.469043D+01  0.155924D+02  0.499256D+02
      6  -0.641214D+01  0.116860D+02 -0.159929D+01  0.108692D+02  0.105680D+02
                91            92            93            94            95 
      1   0.629270D+01 -0.401190D+01 -0.689808D+01 -0.826971D+01 -0.158783D+02
      2  -0.518413D+01 -0.821813D+00  0.120602D+01  0.753271D+01  0.824038D+01
      3  -0.110857D+01  0.483371D+01  0.569206D+01  0.737006D+00  0.763789D+01
      4  -0.157837D+02 -0.162683D+02 -0.492488D+01 -0.349723D+02  0.175006D+02
      5  -0.172337D+02 -0.321217D+01 -0.117477D+02 -0.100511D+02 -0.581085D+01
      6  -0.547260D+00 -0.573836D+01 -0.656116D+01 -0.198553D+01  0.220369D+01
                96            97            98            99           100 
      1  -0.706599D+01 -0.190167D+02 -0.742006D+01 -0.522199D+01  0.879375D+01
      2   0.307671D+01  0.396646D+01 -0.131558D+01  0.649476D+01 -0.321167D+01
      3   0.398927D+01  0.150502D+02  0.873564D+01 -0.127278D+01 -0.558207D+01
      4  -0.570299D+01 -0.182086D+02 -0.654475D+01 -0.220054D+02  0.764538D+01
      5  -0.194306D+02 -0.203410D+02 -0.206679D+02  0.223539D+02  0.105903D+02
      6  -0.342932D+01 -0.947368D+01 -0.530753D+01  0.772270D+01 -0.510131D+01
               101           102           103           104           105 
      1   0.180728D+01  0.400628D+01  0.115673D+02  0.619982D+01  0.169263D+01
      2  -0.126248D+00 -0.254355D+01 -0.111236D+02 -0.127463D+01  0.297559D+01
      3  -0.168103D+01 -0.146274D+01 -0.443680D+00 -0.492518D+01 -0.466821D+01
      4   0.229328D+01 -0.371498D+01 -0.170233D+01 -0.107357D+02  0.978767D+01
      5  -0.484468D+01 -0.230595D+01 -0.113016D+02  0.117780D+02  0.295379D+02
      6   0.351988D+01  0.661569D+01  0.537756D+01 -0.110802D+02 -0.185377D+02
               106           107           108           109           110 
      1   0.142494D+02  0.802206D+00  0.804124D+00  0.174655D+02 -0.139557D+02
      2  -0.234505D+01 -0.642379D+01  0.150245D+01 -0.105410D+02  0.651618D+01
      3  -0.119043D+02  0.562158D+01 -0.230658D+01 -0.692444D+01  0.743955D+01
      4  -0.906571D+01  0.194740D+02  0.239843D+02 -0.191274D+02  0.168188D+02
      5  -0.185938D+02  0.246873D+02  0.178839D+02 -0.275011D+02  0.939674D+01
      6   0.124597D+02 -0.208632D+02 -0.132529D+02  0.114017D+02 -0.281794D+01
               111           112           113           114           115 
      1  -0.210434D+02 -0.116811D+02 -0.863740D+01 -0.691556D+01 -0.234162D+02
      2   0.131692D+02  0.290053D+01  0.172262D+02  0.542050D+01  0.148338D+02
      3   0.787421D+01  0.878060D+01 -0.858877D+01  0.149506D+01  0.858241D+01
      4   0.122271D+02  0.265969D+02 -0.328590D+02 -0.242251D+02  0.219878D+02
      5   0.203294D+02  0.171501D+02 -0.263280D+02 -0.271724D+02  0.342244D+02
      6  -0.491485D+01 -0.802033D+01  0.246914D+02  0.266012D+02 -0.135338D+02
               116           117           118           119           120 
      1  -0.626223D+01 -0.672624D+01  0.731632D+01 -0.413886D+01  0.118546D+02
      2   0.617149D+01 -0.134487D+02 -0.635959D+01  0.737996D+01 -0.778260D+01
      3   0.907410D-01  0.201749D+02 -0.956728D+00 -0.324110D+01 -0.407196D+01
      4  -0.288340D+02 -0.257561D+02 -0.144363D+00 -0.537640D+01 -0.361609D+01
      5  -0.286407D+02 -0.646991D+02  0.107745D+02  0.759104D+00  0.735899D+01
      6   0.270165D+02  0.366930D+02 -0.424636D+01 -0.142118D+01 -0.142422D+01
               121           122           123           124           125 
      1   0.702879D+00 -0.321010D+01  0.324784D+01  0.146487D+02  0.170612D+01
      2   0.807226D+01 -0.149390D+02 -0.104693D+01 -0.815989D+01 -0.292793D+01
      3  -0.877514D+01  0.181491D+02 -0.220091D+01 -0.648886D+01  0.122181D+01
      4  -0.138949D+02  0.409940D+02  0.157416D+01 -0.924830D+01  0.119814D+02
      5   0.888447D+00  0.128593D+01 -0.144593D+01  0.160667D+02 -0.106679D+02
      6  -0.336772D+01  0.269593D+01  0.708452D+01 -0.433253D+01  0.130492D+02
               126           127           128           129           130 
      1  -0.168234D+01  0.335043D+01  0.270844D+01 -0.101806D+01  0.575700D+00
      2  -0.660597D+01 -0.290759D+01 -0.302652D+01 -0.188735D+01  0.239136D+00
      3   0.828832D+01 -0.442841D+00  0.318077D+00  0.290542D+01 -0.814837D+00
      4  -0.100587D+02 -0.955462D+01  0.765160D+01 -0.765341D+01  0.580393D+01
      5   0.294030D+02  0.159411D+02 -0.506651D+01  0.139404D+02 -0.710699D+01
      6  -0.168551D+02 -0.826358D+01  0.593959D+01 -0.831370D+01  0.579091D+01
               131           132           133           134           135 
      1  -0.350528D+01  0.518938D+01 -0.404375D+01  0.798166D+01 -0.143014D+02
      2   0.185810D+01 -0.432639D+00 -0.193770D+01 -0.417156D+01 -0.208919D+01
      3   0.164718D+01 -0.475674D+01  0.598146D+01 -0.381011D+01  0.163906D+02
      4  -0.567599D+01  0.597942D+01 -0.825947D+01  0.754788D+01 -0.105764D+02
      5   0.537976D+01 -0.814385D+01  0.154135D+02 -0.758659D+01  0.206499D+02
      6  -0.647533D+01  0.884154D+01 -0.105204D+02  0.119721D+02 -0.188958D+02
               136           137           138           139           140 
      1  -0.292284D+01 -0.186251D+01  0.550472D+01 -0.235039D+01 -0.445083D+01
      2  -0.266008D+01  0.505721D+00  0.272643D+01 -0.483224D+00  0.644172D+00
      3   0.558292D+01  0.135679D+01 -0.823114D+01  0.283362D+01  0.380666D+01
      4   0.530661D+01  0.367469D+01 -0.537557D+01  0.215967D+01  0.170279D+01
      5  -0.877225D+01 -0.327264D+01  0.112343D+02 -0.311441D+01 -0.251173D+01
      6  -0.606282D+01 -0.359693D+01  0.632903D+01 -0.304352D+01 -0.501510D+01
               141           142           143           144           145 
      1   0.819472D+01  0.757720D+01  0.104929D+02 -0.287650D+02  0.504037D+01
      2   0.332280D+00  0.196969D+01 -0.304919D+01 -0.544477D+01 -0.658284D+01
      3  -0.852700D+01 -0.954689D+01 -0.744370D+01  0.342098D+02  0.154247D+01
      4  -0.286853D+01 -0.567759D+01 -0.506572D+01  0.783566D+01 -0.140261D+01
      5   0.360348D+01  0.104035D+02  0.481011D+01 -0.162351D+02  0.125565D+02
      6   0.881254D+01  0.864458D+01  0.126875D+02 -0.236894D+02 -0.446159D+00
               146           147           148           149           150 
      1   0.153435D-01 -0.122405D+01  0.678568D+00 -0.120517D+01  0.484623D+01
      2   0.907609D+00 -0.472268D+01  0.199579D+01 -0.669766D+00  0.276983D+01
      3  -0.922952D+00  0.594673D+01 -0.267436D+01  0.187494D+01 -0.761606D+01
      4   0.394180D+01 -0.843919D+00  0.323963D+01 -0.326874D+01  0.127811D+01
      5  -0.293195D+01  0.103381D+02 -0.454427D+01  0.343230D+01 -0.595521D+01
      6   0.189349D+01 -0.709723D+00  0.100091D+01 -0.290291D+01  0.191207D+01
               151           152           153           154           155 
      1  -0.393432D+01  0.410408D+01 -0.130778D+02  0.442957D+00  0.943168D+00
      2  -0.612330D+01  0.138556D+01 -0.955301D+01 -0.572817D+01 -0.151891D+01
      3   0.100576D+02 -0.548964D+01  0.226309D+02  0.528521D+01  0.575743D+00
      4  -0.103379D+01  0.257887D+01 -0.171759D+01  0.168414D+01  0.286863D+01
      5   0.127139D+02 -0.401626D+01  0.160175D+02 -0.993769D+01 -0.240659D+01
      6  -0.152226D+01  0.460278D+01 -0.303581D+01  0.656402D+00 -0.178446D+01
               156           157           158           159           160 
      1   0.254114D+01 -0.192407D+01 -0.261945D+01  0.649196D+01  0.377225D+01
      2   0.568030D+01 -0.672388D+00 -0.893463D+00  0.299346D+01  0.737510D+01
      3  -0.822144D+01  0.259646D+01  0.351291D+01 -0.948542D+01 -0.111474D+02
      4  -0.504848D+00  0.183039D+01  0.122241D+01 -0.166059D+01 -0.189658D+01
      5   0.118629D+02 -0.244551D+01 -0.289491D+01  0.366987D+01  0.128759D+02
      6  -0.155931D+01 -0.129194D+01 -0.253278D+01  0.170013D+01  0.101318D+00
               161           162           163           164           165 
      1   0.339895D+01 -0.225606D+02  0.912854D+01 -0.283540D+01 -0.887168D+01
      2   0.225398D+01 -0.162630D+02 -0.762497D+01  0.844136D+00  0.635740D+01
      3  -0.565293D+01  0.388236D+02 -0.150357D+01  0.199127D+01  0.251428D+01
      4  -0.343256D+01  0.185993D+01 -0.685648D+01  0.105769D+02  0.745029D+01
      5   0.397431D+01 -0.208622D+02 -0.160671D+02  0.555379D+01  0.166154D+02
      6   0.500711D+01  0.122843D+00  0.495953D+01 -0.206907D+01 -0.347967D+01
               166           167           168           169           170 
      1   0.377425D+01  0.132725D+01 -0.241388D+01 -0.154224D+02 -0.414585D+01
      2  -0.307559D+01  0.723804D+00  0.118952D+01  0.132014D+02  0.662525D+00
      3  -0.698662D+00 -0.205106D+01  0.122436D+01  0.222102D+01  0.348333D+01
      4   0.126542D+02 -0.108603D+02 -0.977206D+01  0.128345D+02 -0.149082D+02
      5   0.554467D+01 -0.961231D+01 -0.101778D+02  0.279057D+02 -0.194753D+02
      6  -0.358518D+01  0.689302D+01  0.986690D+01 -0.955911D+01  0.122569D+02
               171           172           173           174           175 
      1  -0.310547D+01  0.195141D+02 -0.104101D+02  0.666522D+01 -0.106543D+02
      2  -0.112716D+02 -0.366663D+01 -0.268119D+00 -0.185527D+01 -0.403794D+01
      3   0.143771D+02 -0.158475D+02  0.106782D+02 -0.480996D+01  0.146922D+02
      4  -0.228922D+02 -0.226015D+02  0.257322D+02 -0.627241D+01  0.329965D+02
      5  -0.495380D+02  0.953060D+01 -0.414231D+01  0.766456D+01 -0.554181D+01
      6   0.195806D+02 -0.332891D+01  0.633068D+00 -0.182243D+01  0.235432D+01
               176           177           178           179           180 
      1   0.414160D+01 -0.576525D+00  0.176363D+02 -0.644975D+00  0.282611D+01
      2   0.176701D+02 -0.444884D+01 -0.451971D+01 -0.682609D+01  0.250410D+00
      3  -0.218117D+02  0.502537D+01 -0.131166D+02  0.747107D+01 -0.307652D+01
      4  -0.463487D+02  0.127106D+02 -0.149509D+02  0.232033D+02 -0.150410D+02
      5   0.114826D+02 -0.898350D+01  0.113628D+02 -0.131710D+02  0.831960D+01
      6  -0.500820D+01  0.561530D+01 -0.470309D+01  0.666227D+01 -0.431977D+01
               181           182           183           184           185 
      1   0.147995D+03 -0.179595D+02 -0.169829D+02 -0.266009D+02  0.144495D+02
      2  -0.751784D+02  0.931130D+01  0.838129D+01  0.131873D+02 -0.540373D+01
      3  -0.728163D+02  0.864816D+01  0.860161D+01  0.134137D+02 -0.904580D+01
      4  -0.137846D+02  0.132460D+02  0.161926D+01  0.177866D+02 -0.887439D+01
      5  -0.195324D+02  0.228190D+01  0.160108D+02  0.261130D+01 -0.614510D+01
      6   0.684005D+00 -0.108662D+01  0.131747D+01 -0.125334D+01 -0.407751D-01
               186           187           188           189           190 
      1   0.326182D+01 -0.193487D+02  0.248117D+01  0.169206D+02 -0.472821D+02
      2  -0.220112D+01  0.109349D+02 -0.216222D+01 -0.103064D+02  0.234108D+02
      3  -0.106071D+01  0.841384D+01 -0.318956D+00 -0.661424D+01  0.238713D+02
      4  -0.571353D+01  0.852148D+00 -0.530680D+01 -0.157105D+00 -0.457537D+01
      5  -0.681939D+00  0.233812D+02 -0.500526D+00 -0.454854D+01 -0.112011D+02
      6   0.241902D+01  0.128173D+00  0.262657D+01  0.752234D+00  0.616071D+01
               191           192           193           194           195 
      1   0.986185D+01  0.132473D+02  0.834905D+01 -0.817028D+01 -0.617534D+01
      2  -0.582236D+01 -0.199062D+01 -0.381020D+01  0.503788D+01  0.412436D+01
      3  -0.403949D+01 -0.112566D+02 -0.453884D+01  0.313240D+01  0.205098D+01
      4  -0.243449D+01 -0.114856D+01  0.187772D+01  0.351761D+01  0.554886D+01
      5  -0.111492D+01 -0.706047D+01 -0.621042D-01  0.460357D+01 -0.475361D+00
      6  -0.506647D+01 -0.634208D+01 -0.228734D+01  0.427175D+01  0.516290D+01
               196           197           198           199           200 
      1   0.975753D+01 -0.367051D+01 -0.989630D+01  0.332775D+02  0.213805D+02
      2  -0.191368D+01  0.214805D+01  0.105698D+01 -0.141635D+02 -0.554042D+01
      3  -0.784385D+01  0.152246D+01  0.883931D+01 -0.191140D+02 -0.158400D+02
      4   0.257559D+00  0.362574D+01 -0.165445D+01  0.341262D+02  0.320988D+02
      5   0.132851D+01 -0.158760D+01  0.301686D+01  0.268813D+02  0.171267D+02
      6  -0.371405D+01  0.414508D+01  0.219928D+01  0.126222D+02  0.116467D+02
               201           202           203           204           205 
      1   0.132471D+02  0.250185D+02  0.153609D+02  0.562881D+01  0.755680D+01
      2  -0.925032D+01 -0.612753D+01  0.325017D+01 -0.255660D+01 -0.636930D+01
      3  -0.399679D+01 -0.188910D+02 -0.186111D+02 -0.307221D+01 -0.118751D+01
      4   0.136719D+02  0.404605D+02  0.496887D+02  0.239115D+02  0.998237D+01
      5   0.218204D+02  0.239853D+02  0.280670D+02  0.208265D+02  0.184634D+02
      6   0.806555D+01  0.154324D+02  0.214696D+02  0.151010D+02  0.746429D+01
               206           207           208           209           210 
      1   0.185060D+01  0.690804D+01  0.106550D+02 -0.673550D+01  0.126561D+02
      2  -0.168090D+01 -0.571439D+01 -0.942112D+01  0.604193D+01 -0.113661D+02
      3  -0.169701D+00 -0.119365D+01 -0.123387D+01  0.693579D+00 -0.128993D+01
      4   0.127693D+02  0.121603D+02 -0.730243D+01  0.126139D+02 -0.571204D+01
      5   0.126511D+02  0.149572D+02  0.177716D+02 -0.812404D+01  0.191298D+02
      6   0.107932D+02  0.795218D+01 -0.159411D+01  0.434921D+01 -0.177406D+01
               211           212           213           214           215 
      1  -0.113470D+02  0.686845D+01 -0.364210D+01  0.108863D+02 -0.144083D+01
      2   0.105785D+02 -0.935610D+01  0.146120D+02 -0.119330D+02  0.103098D+02
      3   0.768530D+00  0.248765D+01 -0.109699D+02  0.104671D+01 -0.886899D+01
      4   0.136687D+02 -0.268918D+02  0.218985D+02 -0.586086D+01  0.164526D+02
      5  -0.153436D+02  0.250844D+02 -0.321550D+02  0.202317D+02 -0.199760D+02
      6   0.515503D+01 -0.123886D+02  0.961346D+01 -0.238449D+01  0.965507D+01
               216           217           218           219           220 
      1   0.258025D+01  0.102242D+01  0.188447D+01 -0.904842D+01 -0.131200D+01
      2  -0.199281D+02 -0.294614D+01  0.684549D+00  0.742439D+01  0.277584D+01
      3   0.173478D+02  0.192371D+01 -0.256902D+01  0.162403D+01 -0.146384D+01
      4  -0.181099D+02  0.277764D+01  0.675835D+01 -0.274810D+01  0.478504D+01
      5   0.377106D+02 -0.111521D+02 -0.102269D+01  0.146792D+02  0.140623D+01
      6  -0.796375D+01 -0.274188D+01 -0.138121D+01  0.203793D+01 -0.902294D+00
               221           222           223           224           225 
      1   0.891642D+00  0.155955D+00 -0.871882D+01  0.182317D+01 -0.117098D+02
      2  -0.198759D+01 -0.522671D+01  0.903424D+01 -0.399839D+01 -0.266472D+02
      3   0.109594D+01  0.507075D+01 -0.315417D+00  0.217522D+01  0.383570D+02
      4   0.617422D-01 -0.510995D+01 -0.495065D+01 -0.850320D+01  0.309063D+01
      5  -0.616577D+01 -0.109563D+02  0.179021D+02  0.219256D+01 -0.697989D+02
      6   0.784023D-01  0.313367D+01  0.452771D+01  0.733356D+01 -0.241301D+02
               226           227           228           229           230 
      1   0.266671D+02  0.203861D+02  0.169960D+01  0.187468D+02  0.103105D+02
      2  -0.196771D+00  0.525905D+01  0.212873D+00  0.811456D+01  0.280505D+02
      3  -0.264703D+02 -0.256451D+02 -0.191247D+01 -0.268613D+02 -0.383610D+02
      4   0.403912D+02  0.440997D+02 -0.168832D+01  0.468161D+02  0.690414D+02
      5  -0.409343D+01 -0.571291D+01  0.952321D+01 -0.578028D+01 -0.507610D+01
      6  -0.341148D+01 -0.502027D+01  0.540172D+01 -0.511390D+01 -0.880036D+01
               231           232           233           234           235 
      1  -0.455818D+00  0.662509D+01  0.169666D+01  0.368259D+01 -0.445654D+02
      2   0.869621D+00  0.390465D+00  0.503900D+01 -0.132686D+01  0.296897D+02
      3  -0.413802D+00 -0.701555D+01 -0.673566D+01 -0.235573D+01  0.148757D+02
      4  -0.165064D+01  0.772784D+01  0.126891D+02  0.780283D+01 -0.133346D+02
      5   0.688230D+01  0.775174D+01  0.627489D+01 -0.218377D+01  0.122225D+02
      6   0.639455D+01  0.437940D+01  0.492219D+01  0.510796D-01  0.107710D+00
               236           237           238           239           240 
      1   0.139785D+02  0.133082D+01  0.927287D+01 -0.112265D+02  0.362076D+00
      2  -0.136369D+02 -0.167100D+01 -0.799930D+01  0.128879D+02  0.235617D+00
      3  -0.341628D+00  0.340174D+00 -0.127357D+01 -0.166144D+01 -0.597693D+00
      4  -0.328885D+01  0.330430D+01  0.240911D+01  0.461643D+01  0.837711D+00
      5   0.493456D+00 -0.590050D+01 -0.135798D+01  0.281727D+01 -0.609732D+00
      6   0.331420D+01 -0.488984D+01  0.165813D+01 -0.131921D+01  0.945869D+00
               241           242           243           244           245 
      1   0.536088D+01 -0.276295D+01 -0.614572D+01  0.253217D+01  0.387554D+01
      2  -0.336258D+01  0.379511D+01  0.496449D+00 -0.404555D+01 -0.209870D+01
      3  -0.199830D+01 -0.103215D+01  0.564927D+01  0.151337D+01 -0.177684D+01
      4   0.141194D+01  0.376563D+01 -0.155926D+01  0.651424D+01  0.682611D+01
      5  -0.188037D+01 -0.476204D-01 -0.344128D+01 -0.112731D+02 -0.279981D+01
      6  -0.276808D+01  0.122326D+01 -0.746993D+00 -0.452021D+01 -0.735508D+00
               246           247           248           249           250 
      1  -0.606311D+01  0.448046D+01 -0.263488D+00  0.189849D+01 -0.773489D+01
      2   0.466393D+01 -0.214651D+01  0.115457D+01 -0.135969D+01  0.734909D+01
      3   0.139918D+01 -0.233396D+01 -0.891084D+00 -0.538802D+00  0.385800D+00
      4  -0.383467D+01  0.103034D+02  0.643641D+01 -0.784166D+01 -0.580130D+01
      5   0.123693D+02 -0.362195D+01 -0.805642D+01  0.106683D+02  0.162450D+02
      6   0.262695D+01 -0.218497D+01 -0.605696D+01  0.810892D+01  0.423936D+01
               251           252           253           254           255 
      1   0.212295D+01 -0.446051D+01 -0.857876D+02 -0.432815D+01  0.851533D+01
      2   0.750331D+00 -0.957348D+01  0.435325D+02  0.101412D+02 -0.583712D+01
      3  -0.287328D+01  0.140340D+02  0.422551D+02 -0.581310D+01 -0.267821D+01
      4  -0.101974D+02  0.107232D+02 -0.923410D+01  0.249738D+02  0.108488D+02
      5   0.947068D+01 -0.352510D+02  0.121722D+02  0.789903D+01  0.142052D+02
      6   0.757438D+01 -0.129411D+02  0.915231D+01  0.598404D+01  0.513077D+01
               256           257           258           259           260 
      1   0.154130D+02  0.352468D+02  0.288751D+01  0.289798D+02  0.333930D+01
      2  -0.398049D+01 -0.393543D+02 -0.678613D+01 -0.126734D+02 -0.300679D+01
      3  -0.114325D+02  0.410749D+01  0.389862D+01 -0.163064D+02 -0.332515D+00
      4   0.270620D+02 -0.282992D+02  0.556212D+01  0.201148D+02  0.144212D+02
      5   0.118304D+02  0.832371D+01  0.179183D+02  0.201862D+02  0.194863D+02
      6   0.623584D+01 -0.412854D+01  0.599006D+01  0.851059D+01  0.794667D+01
               261           262           263           264           265 
      1   0.157761D+02  0.643655D+01 -0.767347D+01  0.227440D+01 -0.646743D+01
      2   0.583721D+01  0.164675D+01 -0.957267D+00 -0.133127D+00 -0.765561D+01
      3  -0.216133D+02 -0.808330D+01  0.863074D+01 -0.214128D+01  0.141230D+02
      4   0.229385D+02 -0.130864D+02  0.166109D+02 -0.351607D+01  0.264966D+02
      5  -0.198372D+02  0.462912D+01 -0.384486D+01  0.329604D+01 -0.681307D+01
      6  -0.331790D+01 -0.303449D+01  0.285433D+01 -0.133472D+01  0.543426D+01
               266           267           268           269           270 
      1  -0.506281D+01  0.703518D+00  0.398438D+00  0.100225D+01 -0.660111D+00
      2   0.319559D+02 -0.516030D+01 -0.179166D+01  0.306595D+01  0.142985D+01
      3  -0.268931D+02  0.445678D+01  0.139323D+01 -0.406821D+01 -0.769743D+00
      4  -0.573904D+02  0.115805D+02  0.160736D+01 -0.309699D+01 -0.405373D+01
      5   0.125770D+02 -0.987875D+01  0.296702D+01 -0.407717D+01  0.384819D+01
      6  -0.133999D+02  0.740015D+01 -0.170802D+01  0.435704D+01 -0.268859D+01
               271           272           273           274           275 
      1   0.491208D+01 -0.970993D+00  0.590433D+01 -0.752928D+01 -0.653051D+01
      2  -0.594758D+01 -0.771738D+00 -0.219693D+01  0.359098D+01  0.307990D+01
      3   0.103550D+01  0.174273D+01 -0.370740D+01  0.393831D+01  0.345061D+01
      4  -0.231593D+01 -0.366131D+01  0.121005D-01 -0.360156D+01 -0.372746D+01
      5   0.360359D+01 -0.162778D+01  0.198091D+00 -0.425670D+01  0.386207D+01
      6  -0.368347D+00 -0.149176D+01 -0.104191D+01 -0.845274D+00 -0.397022D+00
               276           277           278           279           280 
      1  -0.358063D+00  0.102452D+02 -0.887152D-01 -0.119578D+02  0.132896D+03
      2   0.492008D+01 -0.676588D+01  0.419095D+01 -0.158733D+02 -0.635660D+02
      3  -0.456201D+01 -0.347937D+01 -0.410224D+01  0.278311D+02 -0.693300D+02
      4   0.424375D+01  0.434741D+01  0.820120D+01 -0.382143D+01  0.404494D+02
      5  -0.928450D+01  0.100999D+02 -0.279688D+01  0.440271D+02  0.971481D+01
      6   0.125521D+01  0.147787D+01  0.357697D+01  0.125743D+02 -0.102184D+01
               281           282           283           284           285 
      1   0.918798D+01 -0.161824D+01 -0.711236D+01  0.780751D+01 -0.134089D+00
      2  -0.126819D+01 -0.922505D-01  0.639983D+01 -0.567019D+00  0.500831D+00
      3  -0.791979D+01  0.171049D+01  0.712538D+00 -0.724050D+01 -0.366743D+00
      4   0.171157D+02  0.665475D+00  0.130941D+02  0.604998D+01 -0.117282D+01
      5   0.135573D+01  0.129635D+02 -0.133679D+01 -0.798567D+00 -0.253429D+01
      6   0.165672D+01  0.349576D+01  0.657206D+00  0.371833D+00  0.104098D+00
               286           287           288           289           290 
      1  -0.165899D+02 -0.143273D+01  0.951712D+01  0.183255D+01  0.132768D+02
      2   0.672028D+01 -0.157381D+00 -0.701652D+01  0.252173D+01 -0.129218D+02
      3   0.986964D+01  0.159011D+01 -0.250060D+01 -0.435428D+01 -0.354981D+00
      4  -0.667805D+01 -0.464871D+01  0.107498D+01  0.478440D+01 -0.534328D+01
      5   0.129064D+02 -0.844219D+00 -0.501075D+00 -0.192765D+01 -0.421740D+00
      6   0.327556D+01  0.553907D+00 -0.546543D+00 -0.127836D+00 -0.250734D+01
               291           292           293           294           295 
      1  -0.408974D-01  0.106653D+02 -0.316330D+02 -0.272305D+01 -0.431773D+01
      2  -0.556654D-01 -0.343522D+01  0.540394D+02  0.299472D+01  0.138111D+01
      3   0.965629D-01 -0.723011D+01 -0.224063D+02 -0.271670D+00  0.293662D+01
      4  -0.206697D+01  0.115412D+02  0.605044D+02  0.579599D+01 -0.309463D+01
      5  -0.261612D+01  0.285819D+01  0.323255D+01  0.688241D+01 -0.175530D+00
      6  -0.229968D+01  0.594377D+00  0.116357D+02  0.749621D+01 -0.319671D+00
               296           297 
      1  -0.112857D+01 -0.598451D+01
      2  -0.145542D+01  0.441335D+01
      3   0.258399D+01  0.157117D+01
      4  -0.359154D+01  0.414487D+01
      5   0.509478D+01  0.247511D+01
      6   0.705308D+01  0.143451D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169203D+03      0.250733D+02      0.278978D+02
   aniso      0.660121D+02      0.978198D+01      0.108839D+02
   xx         0.211166D+03      0.312916D+02      0.348166D+02
   yx        -0.819861D+00     -0.121491D+00     -0.135177D+00
   yy         0.138856D+03      0.205764D+02      0.228943D+02
   zx        -0.734568D+00     -0.108852D+00     -0.121114D+00
   zy        -0.655259D+01     -0.970994D+00     -0.108038D+01
   zz         0.157587D+03      0.233520D+02      0.259826D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169203D+03      0.250733D+02      0.278978D+02
   aniso      0.660121D+02      0.978198D+01      0.108839D+02
   xx         0.198504D+03      0.294152D+02      0.327289D+02
   yx         0.797487D-01      0.118175D-01      0.131488D-01
   yy         0.146666D+03      0.217337D+02      0.241820D+02
   zx         0.242408D+02      0.359212D+01      0.399677D+01
   zy        -0.126023D+02     -0.186746D+01     -0.207783D+01
   zz         0.162439D+03      0.240710D+02      0.267827D+02

 ----------------------------------------------------------------------
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 NOBODY LOSES ALL THE TIME
 I HAD AN UNCLE NAMED
 SOL WHO WAS A BORN FAILURE AND
 NEARLY EVERYBODY SAID HE SHOULD HAVE GONE
 INTO VAUDEVILLE PERHAPS BECAUSE MY UNCLE SOL COULD
 SING MCCANN HE WAS A DIVER ON XMAS EVE LIKE HELL ITSELF WHICH
 MAY OR MAY NOT ACCOUNT FOR THE FACT THAT MY UNCLE
 SOL INDULGED IN THAT POSSIBLY MOST INEXCUSABLE
 OF ALL TO USE A HIGHFALOOTIN PHRASE
 LUXURIES THAT IS OR TO
 WIT FARMING AND BE
 IT NEEDLESSLY
 ADDED
 MY UNCLE SOL'S FARM     
 FAILED BECAUSE THE CHICKENS
 ATE THE VEGETABLES SO
 MY UNCLE SOL HAD A
 CHICKEN FARM TILL THE
 SKUNKS ATE THE CHICKENS WHEN 
 MY UNCLE SOL
 HAD A SKUNK FARM BUT
 THE SKUNKS CAUGHT COLD AND
 DIED AND SO
 MY UNCLE SOL IMITATED THE
 SKUNKS IN A SUBTLE MANNER
 OR BY DROWNING HIMSELF IN THE WATERTANK
 BUT SOMEBODY WHO'D GIVEN MY UNCLE SOL A VICTOR     
 VICTROLA AND RECORDS WHILE HE LIVED PRESENTED TO
 HIM UPON THE AUSPICIOUS OCCASION OF HIS DECEASE A
 SCRUMPTIOUS NOT TO MENTION SPLENDIFEROUS FUNERAL WITH
 TALL BOYS IN BLACK GLOVES AND FLOWERS AND EVERYTHING AND
 I REMEMBER WE ALL CRIED LIKE THE MISSOURI
 WHEN MY UNCLE SOL'S COFFIN LURCHED BECAUSE     
 SOMEBODY PRESSED A BUTTON
 (AND DOWN WENT
 MY UNCLE
 SOL
 AND STARTED A WORM FARM)
           E. E. CUMMINGS
 Job cpu time:       1 days 10 hours 15 minutes 39.8 seconds.
 Elapsed time:       0 days  4 hours 17 minutes 14.0 seconds.
 File lengths (MBytes):  RWF=    706 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep 29 16:08:43 2021.
